4R69
Lactate Dehydrogenase in complex with inhibitor compound 13
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2012-05-08 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.007, 80.682, 101.983 |
| Unit cell angles | 90.00, 96.49, 90.00 |
Refinement procedure
| Resolution | 38.830 - 3.190 |
| R-factor | 0.1905 |
| Rwork | 0.190 |
| R-free | 0.22780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4m49 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.070 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.4) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 38.900 |
| High resolution limit [Å] | 3.190 |
| Number of reflections | 20264 |
| <I/σ(I)> | 6.3 |
| Completeness [%] | 100.0 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 293 | PEG3350, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
