4CPK
Crystal structure of PBP2a double clinical mutant N146K-E150K from MRSA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 81.437, 101.637, 186.838 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.640 - 2.350 |
| R-factor | 0.1841 |
| Rwork | 0.182 |
| R-free | 0.23080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zg0 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.150 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.640 | 2.480 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.160 | 0.940 |
| Number of reflections | 65572 | |
| <I/σ(I)> | 11.6 | 2.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8.3 | 8.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | pH 7 |
