8HVQ
Crystal structure of haloacid dehalogenase-like hydrolase family enzyme from Staphylococcus lugdunensis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-04-28 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9677 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.947, 121.387, 134.405 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 58.860 - 1.730 |
R-factor | 0.15328 |
Rwork | 0.151 |
R-free | 0.19931 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.581 |
Data reduction software | autoPROC |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.860 | 1.760 |
High resolution limit [Å] | 1.730 | 1.730 |
Number of reflections | 62991 | 3498 |
<I/σ(I)> | 9.3 | |
Completeness [%] | 98.6 | |
Redundancy | 1.8 | |
CC(1/2) | 0.997 | 0.895 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M sodium formate, 0.2M ammonium acetate, 0.2M sodium citrate tribasic dihydrate, 0.2M sodium potassium tartrate tetrahydrate, 0.2M sodium oxamate, 10% w/v PEG 4000, 20% v/v glycerol, 0.1M MES/imidazole pH 6.5 |