3D4P
Crystal structure of Lactate Dehydrogenase from Staphylococcus Aureus complexed with NAD and pyruvate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-05-01 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0809 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 130.868, 74.916, 95.874 |
Unit cell angles | 90.00, 128.90, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.800 |
R-factor | 0.164 |
Rwork | 0.163 |
R-free | 0.18800 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.480 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
Rmerge | 0.097 | 0.084 | 0.249 |
Number of reflections | 66324 | ||
<I/σ(I)> | 7.5 | ||
Completeness [%] | 98.6 | 99.8 | 91.7 |
Redundancy | 4 | 4.1 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 291 | 35% 2-methyl-2,4-pentanediol, 0.1M acetate pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |