7M2N
Crystal structure of Human Lactate Dehydrogenase A with Inhibitor Compound 15
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-11-05 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 83.930, 131.050, 215.518 |
| Unit cell angles | 90.00, 99.30, 90.00 |
Refinement procedure
| Resolution | 48.890 - 2.500 |
| R-factor | 0.21175 |
| Rwork | 0.209 |
| R-free | 0.25769 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5w8j |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.461 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.104 | |
| Number of reflections | 78979 | 3992 |
| <I/σ(I)> | 13.46 | |
| Completeness [%] | 100.0 | |
| Redundancy | 4.6 | |
| CC(1/2) | 0.870 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2 M Lithium Sulfate, 0.1 M Sodium Cacodylate pH 6.5, 30% (v/v) PEG 400 |
