2OXN
Vibrio cholerae family 3 glycoside hydrolase (NagZ) in complex with PUGNAc
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.734, 67.850, 96.894 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.560 - 1.700 |
R-factor | 0.17 |
Rwork | 0.168 |
R-free | 0.19900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tr9 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.298 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.560 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.061 | 0.167 |
Number of reflections | 35787 | |
<I/σ(I)> | 27.2 | 8.4 |
Completeness [%] | 99.3 | 95.5 |
Redundancy | 7.1 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 298 | 15% PEG 20000, 100mM Bis-Tris, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |