5DF9
CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 IN COMPLEX WITH DEACYLATED PRODUCT OF CEFOPERAZONE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-01-24 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97960 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 176.884, 41.264, 87.786 |
| Unit cell angles | 90.00, 117.42, 90.00 |
Refinement procedure
| Resolution | 29.970 - 2.700 |
| R-factor | 0.2046 |
| Rwork | 0.202 |
| R-free | 0.24927 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5df8 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.903 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.092 | 0.722 |
| Number of reflections | 15866 | |
| <I/σ(I)> | 14.5 | 1.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 294 | 1.26 M (NH4)2SO4; 0.1 M CHES pH 9.5; 0.2 M NaCl |
