5LY7
Crystal structure of NagZ H174A mutant from Pseudomonas aeruginosa in complex with the inhibitor 2-acetamido-1,2-dideoxynojirimycin
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 | 2015-10-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97925 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 65.140, 66.930, 74.060 |
Unit cell angles | 90.00, 98.57, 90.00 |
Refinement procedure
Resolution | 73.230 - 3.100 |
R-factor | 0.22069 |
Rwork | 0.217 |
R-free | 0.29090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Crystallographic structure of NagZ from Pseudomonas aeruginosa |
RMSD bond length | 0.011 |
RMSD bond angle | 1.509 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 73.230 | 3.310 |
High resolution limit [Å] | 3.100 | 3.100 |
Rmerge | 0.182 | 0.405 |
Number of reflections | 10753 | |
<I/σ(I)> | 4.2 | 2.2 |
Completeness [%] | 93.1 | 92.7 |
Redundancy | 2.2 | 2.1 |
CC(1/2) | 0.929 | 0.750 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 30% PEG 8000, 100 mM Sodium Cacodylate pH 6.0, 200 mM Sodium Acetate pH 6.0 |