4GVI
Crystal structure of mutant (D248N) Salmonella typhimurium family 3 glycoside hydrolase (NagZ) in complex with GlcNAc-1,6-anhMurNAc
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-10-15 |
Detector | RIGAKU RAXIS IV |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.670, 65.640, 94.910 |
Unit cell angles | 90.00, 99.24, 90.00 |
Refinement procedure
Resolution | 28.360 - 1.550 |
R-factor | 0.172 |
Rwork | 0.171 |
R-free | 0.20200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.182 |
Data reduction software | MOSFLM |
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] | 28.490 | 1.630 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.034 | 0.149 |
Number of reflections | 84880 | |
<I/σ(I)> | 19.1 | 4.6 |
Completeness [%] | 97.1 | 81.1 |
Redundancy | 3.5 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 296 | 0.1 M MES, 25% PEG 1000 , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K |