3GS6
Vibrio Cholerea family 3 glycoside hydrolase (NagZ)in complex with N-butyryl-PUGNAc
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-11-26 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.778, 86.021, 86.217 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 60.860 - 2.300 |
R-factor | 0.18387 |
Rwork | 0.181 |
R-free | 0.24064 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2oxn |
RMSD bond length | 0.010 |
RMSD bond angle | 1.287 |
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] | 60.860 | 2.420 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.087 | 0.490 |
Number of reflections | 16261 | |
<I/σ(I)> | 9.8 | 2.6 |
Completeness [%] | 99.3 | 95.4 |
Redundancy | 3.3 | 2.4 |
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 pH6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |