3H3J
Crystal structure of lactate dehydrogenase mutant (A85R) 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 | 2008-12-04 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.08100 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 83.917, 122.120, 74.319 |
| Unit cell angles | 90.00, 116.20, 90.00 |
Refinement procedure
| Resolution | 19.700 - 1.800 |
| R-factor | 0.194 |
| Rwork | 0.191 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3d4p |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.248 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 3.870 | 1.800 |
| Rmerge | 0.078 | 0.038 | 0.506 |
| Number of reflections | 60471 | ||
| <I/σ(I)> | 16.693 | ||
| Completeness [%] | 98.3 | 99.8 | 87 |
| Redundancy | 3.9 | 4.1 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 20% PEG2000MME, 0.1M Tris buffer, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
