3N58
Crystal structure of S-ADENOSYL-L-HOMOCYSTEINE hydrolase from brucella melitensis in ternary complex with NAD and adenosine, orthorhombic form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-04-30 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.97740 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.450, 165.230, 184.140 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.270 - 2.390 |
R-factor | 0.175 |
Rwork | 0.172 |
R-free | 0.23500 |
Starting model (for MR) | 2ziz |
RMSD bond length | 0.008 |
RMSD bond angle | 1.192 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE: 1.6.1_357)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.270 | 2.450 |
High resolution limit [Å] | 2.390 | 2.390 |
Rmerge | 0.109 | 0.522 |
Number of reflections | 83542 | |
<I/σ(I)> | 16.09 | 3.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.7 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 290 | JCSG SCREEN CONDITION D12: 20% V/ V GLYCEROL, 16% W/V PEG 8000, 40 MM POTASSIUM PHOSPHATE, PROTEIN AT 80 MG/ML, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K, pH 8.0 |