5M1A
Crystal structure of PBP2a from MRSA in the presence of Ceftazidime ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-02-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 80.739, 101.914, 186.452 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 93.226 - 2.000 |
R-factor | 0.2032 |
Rwork | 0.203 |
R-free | 0.23840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vqq |
RMSD bond length | 0.008 |
RMSD bond angle | 0.868 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((dev_2420: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 101.910 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 101947 | |
<I/σ(I)> | 12.3 | |
Completeness [%] | 97.8 | 97.7 |
Redundancy | 7.1 | 7.5 |
CC(1/2) | 0.990 | 0.890 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 20% (vol/vol) PEG 550 monomethyl ether, 880 mM NaCl, 100mMHepes (pH 7.0 buffer), and 16mMCdCl2 |