4QT0
Crystal structure of human muscle L-lactate dehydrogenase in complex with inhibitor 1, 3-{[3-CARBAMOYL-7-(2,4-DIMETHOXYPYRIMIDIN-5-YL)QUINOLIN-4-YL]AMINO}BENZOIC ACID
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-07-02 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 147.190, 147.190, 334.630 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.590 - 3.200 |
| R-factor | 0.177 |
| Rwork | 0.172 |
| R-free | 0.27100 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.776 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.600 | 3.310 |
| High resolution limit [Å] | 3.200 | 3.240 |
| Number of reflections | 69933 | |
| <I/σ(I)> | 13.7 | 1.9 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 7.4 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 293 | 100 mM Bis-tris propane pH 7.0, 20 % PEG 400, and 100 mM LiCl, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
