4BL3
Crystal structure of PBP2a clinical mutant N146K 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 | 81.790, 102.390, 187.130 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.740 - 3.000 |
| R-factor | 0.2402 |
| Rwork | 0.235 |
| R-free | 0.30390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vqq |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.200 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.070 | 3.160 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.100 | 0.580 |
| Number of reflections | 30067 | |
| <I/σ(I)> | 8.3 | 1.9 |
| Completeness [%] | 83.2 | 75.3 |
| Redundancy | 3.6 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | pH 7 |
