4R68
Lactate Dehydrogenase in complex with inhibitor compound 31
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 110 |
Detector technology | PIXEL |
Collection date | 2012-04-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97945 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 77.642, 81.070, 102.476 |
Unit cell angles | 90.00, 98.75, 90.00 |
Refinement procedure
Resolution | 57.124 - 2.112 |
R-factor | 0.1561 |
Rwork | 0.155 |
R-free | 0.19670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4m49 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.094 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 57.124 |
High resolution limit [Å] | 2.110 |
Number of reflections | 70252 |
<I/σ(I)> | 10.3 |
Completeness [%] | 96.8 |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 293 | PEG 3350, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K |