4BJQ
Crystal structure of E. coli penicillin binding protein 3, domain V88- S165
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-09-30 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 |
| Unit cell lengths | 56.048, 55.959, 82.285 |
| Unit cell angles | 89.13, 76.49, 65.99 |
Refinement procedure
| Resolution | 35.700 - 2.100 |
| R-factor | 0.21099 |
| Rwork | 0.208 |
| R-free | 0.26252 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.195 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.000 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.080 | 0.510 |
| Number of reflections | 45669 | |
| <I/σ(I)> | 10.2 | 2.5 |
| Completeness [%] | 88.5 | 95.4 |
| Redundancy | 3.7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
