4HZM
Crystal structure of Salmonella typhimurium family 3 glycoside hydrolase (NagZ) bound to N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]butanamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-03-19 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.765, 66.187, 95.065 |
Unit cell angles | 90.00, 99.21, 90.00 |
Refinement procedure
Resolution | 49.120 - 1.450 |
R-factor | 0.17 |
Rwork | 0.169 |
R-free | 0.19330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4gvg |
RMSD bond length | 0.008 |
RMSD bond angle | 1.172 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.7.2_869)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.120 | 1.530 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.065 | 0.365 |
Number of reflections | 105765 | |
<I/σ(I)> | 13 | 3.1 |
Completeness [%] | 98.0 | 87.5 |
Redundancy | 3.6 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 296 | 0.1M MES, 25% PEG 1000 , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K |