4CJN
Crystal structure of PBP2a from MRSA in complex with quinazolinone ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 81.050, 103.773, 186.428 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 63.876 - 1.947 |
R-factor | 0.2009 |
Rwork | 0.199 |
R-free | 0.24730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zg0 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.074 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.960 | 2.060 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.090 | |
Number of reflections | 115623 | |
<I/σ(I)> | 19.5 | 1.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 25.6 | 18.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | PH 7 |