4BL2
Crystal structure of PBP2a clinical mutant E150K from MRSA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Detector | MAR scanner 345 mm plate |
| 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 | 19.890 - 2.720 |
| R-factor | 0.2123 |
| Rwork | 0.207 |
| R-free | 0.28670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vqq |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.170 |
| 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] | 19.890 | 2.870 |
| High resolution limit [Å] | 2.720 | 2.720 |
| Rmerge | 0.130 | 0.400 |
| Number of reflections | 42164 | |
| <I/σ(I)> | 16.1 | 7.5 |
| Completeness [%] | 99.2 | 96.6 |
| Redundancy | 14.1 | 11.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | pH 7 |
