8FW6
Human Lactate Dehydrogenase A in Complex with Inhibitor CHK-336
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-04 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 118.174, 118.174, 94.788 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.070 - 2.340 |
| R-factor | 0.15601 |
| Rwork | 0.154 |
| R-free | 0.20598 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.466 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0349) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.340 | 2.340 |
| Rmerge | 0.175 | 0.737 |
| Rmeas | 0.181 | 0.805 |
| Number of reflections | 32736 | 1629 |
| <I/σ(I)> | 14 | 2.29 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.8 | 6.1 |
| CC(1/2) | 0.760 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.6 | 291 | 0.1 M Sodium Acetate pH 4.6 30% (v/v) PEG 400 |
