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 |