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 |
