HEADER DNA-BINDING 17-DEC-93 1HCR 1HCR 2 COMPND HIN RECOMBINASE (DNA-BINDING DOMAIN) COMPLEXED WITH DNA 1HCR 3 SOURCE SYNTHETIC 1HCR 4 AUTHOR J.-A.FENG,R.C.JOHNSON,R.E.DICKERSON 1HCR 5 REVDAT 1 30-APR-94 1HCR 0 1HCR 6 JRNL AUTH J.-A.FENG,R.C.JOHNSON,R.E.DICKERSON 1HCR 7 JRNL TITL HIN RECOMBINASE BOUND TO DNA: THE ORIGIN OF 1HCR 8 JRNL TITL 2 SPECIFICITY IN MAJOR AND MINOR GROOVE 1HCR 9 JRNL TITL 3 INTERACTIONS 1HCR 10 JRNL REF SCIENCE V. 263 348 1994 1HCR 11 JRNL REFN ASTM SCIEAS US ISSN 0036-8075 038 1HCR 12 REMARK 1 1HCR 13 REMARK 2 1HCR 14 REMARK 2 RESOLUTION. 1.8 ANGSTROMS. 1HCR 15 REMARK 3 1HCR 16 REMARK 3 REFINEMENT. 1HCR 17 REMARK 3 PROGRAM X-PLOR 1HCR 18 REMARK 3 AUTHORS BRUNGER 1HCR 19 REMARK 3 R VALUE 0.228 1HCR 20 REMARK 3 RMSD BOND DISTANCES 0.024 ANGSTROMS 1HCR 21 REMARK 3 RMSD BOND ANGLES 3.97 DEGREES 1HCR 22 REMARK 3 1HCR 23 REMARK 3 NUMBER OF REFLECTIONS 5346 1HCR 24 REMARK 3 RESOLUTION RANGE 8.0 - 2.3 ANGSTROMS 1HCR 25 REMARK 3 DATA CUTOFF 2 .0 SIGMA(F) 1HCR 26 REMARK 3 1HCR 27 REMARK 3 NUMBER OF PROTEIN ATOMS 978 1HCR 28 REMARK 3 NUMBER OF SOLVENT ATOMS 16 1HCR 29 REMARK 3 1HCR 30 REMARK 3 THIS COORDINATE SET IS PRELIMINARY. REFINEMENT IS STILL 1HCR 31 REMARK 3 IN PROGRESS. 1HCR 32 REMARK 4 1HCR 33 REMARK 4 THE PROTEIN DOMAIN HAS BEEN ASSIGNED CHAIN INDICATOR *A*. 1HCR 34 REMARK 4 THE TWO DNA CHAINS HAVE BEEN ASSIGNED CHAIN INDICATORS *B* 1HCR 35 REMARK 4 AND *C*. THE UNIT CELL CONTAINS 8 COMPLEXES EACH 1HCR 36 REMARK 4 CONTAINING A PROTEIN AND TWO DIFFERENT STRANDS OF DNA. 1HCR 37 REMARK 5 1HCR 38 REMARK 5 RESIDUES SER 183 AND SER 184 ARE POORLY DEFINED IN THE 1HCR 39 REMARK 5 ELECTRON DENSITY MAP. 1HCR 40 REMARK 6 1HCR 41 REMARK 6 THE DNA CHAINS ARE ALIGNED AS FOLLOWS: 1HCR 42 REMARK 6 5(PRIME) T-G-T-T-T-T-T-G-A-T-A-A-G-A 1HCR 43 REMARK 6 3(PRIME) C-A-A-A-A-A-C-T-A-T-T-C-T 1HCR 44 SEQRES 1 A 52 GLY ARG PRO ARG ALA ILE ASN LYS HIS GLU GLN GLU GLN 1HCR 45 SEQRES 2 A 52 ILE SER ARG LEU LEU GLU LYS GLY HIS PRO ARG GLN GLN 1HCR 46 SEQRES 3 A 52 LEU ALA ILE ILE PHE GLY ILE GLY VAL SER THR LEU TYR 1HCR 47 SEQRES 4 A 52 ARG TYR PHE PRO ALA SER SER ILE LYS LYS ARG MET ASN 1HCR 48 SEQRES 1 B 14 T G T T T T T G A T A A G 1HCR 49 SEQRES 2 B 14 A 1HCR 50 SEQRES 1 C 13 T C T T A T C A A A A A C 1HCR 51 FTNOTE 1 1HCR 52 FTNOTE 1 LYS A 186 - LYS A 187 OMEGA =148.79 1HCR 53 FTNOTE 1 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION 1HCR 54 FORMUL 4 HOH *16(H2 O1) 1HCR 55 CRYST1 84.920 81.370 44.040 90.00 90.00 90.00 C 2 2 21 8 1HCR 56 ORIGX1 1.000000 0.000000 0.000000 0.00000 1HCR 57 ORIGX2 0.000000 1.000000 0.000000 0.00000 1HCR 58 ORIGX3 0.000000 0.000000 1.000000 0.00000 1HCR 59 SCALE1 0.011776 0.000000 0.000000 0.00000 1HCR 60 SCALE2 0.000000 0.012290 0.000000 0.00000 1HCR 61 SCALE3 0.000000 0.000000 0.022707 0.00000 1HCR 62