5G6T
Crystal structure of Zn-containing NagZ H174A mutant from Pseudomonas aeruginosa
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 | 2015-10-17 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 64.095, 76.122, 76.005 |
Unit cell angles | 90.00, 107.39, 90.00 |
Refinement procedure
Resolution | 44.937 - 2.150 |
R-factor | 0.1816 |
Rwork | 0.178 |
R-free | 0.24460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | APO STRUCTURE OF NAGZ FROM PSEUDOMONAS AERUGINOSA |
RMSD bond length | 0.008 |
RMSD bond angle | 0.992 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.680 | 2.220 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.180 | 0.950 |
Number of reflections | 36891 | |
<I/σ(I)> | 8.3 | 1.6 |
Completeness [%] | 97.2 | 97.3 |
Redundancy | 4.5 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | 30% PEG 8000 100 MM SODIUM CACODYLATE PH 6.0 200 MM SODIUM ACETATE PH 6.0 |