4JNK
Lactate Dehydrogenase A in complex with inhibitor compound 22
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] | 110 |
Detector technology | CCD |
Collection date | 2011-10-26 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9774 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 168.246, 81.487, 120.414 |
Unit cell angles | 90.00, 117.13, 90.00 |
Refinement procedure
Resolution | 35.022 - 1.896 |
R-factor | 0.1597 |
Rwork | 0.159 |
R-free | 0.20440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1i10 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.064 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.896 |
<I/σ(I)> | 17 |
Completeness [%] | 99.8 |
Redundancy | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 300 | PEG3350, malonate, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 300K |