3GSM
Vibrio cholerae family 3 glycoside hydrolase (NagZ) bound to N-Valeryl-PUGNAc
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-10-20 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.980, 86.440, 86.440 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 61.080 - 2.400 |
R-factor | 0.2125 |
Rwork | 0.209 |
R-free | 0.27174 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2oxn |
RMSD bond length | 0.011 |
RMSD bond angle | 1.311 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.080 | 2.530 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.100 | 0.490 |
Number of reflections | 14482 | |
<I/σ(I)> | 6.7 | 2.2 |
Completeness [%] | 99.5 | 100 |
Redundancy | 2.97 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 298 | 13% PEG 20,000, 10% glycerol, 100mM Bis-Tris pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |