5W8K
Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 29 and NADH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-17 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9787 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 167.760, 81.080, 120.440 |
| Unit cell angles | 90.00, 117.14, 90.00 |
Refinement procedure
| Resolution | 107.180 - 1.600 |
| R-factor | 0.139 |
| Rwork | 0.138 |
| R-free | 0.16100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | proprietary structure of the same target |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 107.180 | 1.640 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.057 | 0.545 |
| Number of reflections | 188569 | |
| <I/σ(I)> | 15.65 | 2.4 |
| Completeness [%] | 99.6 | 99.6 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.8 | 289 | 24% PEG 3350, 200 mM Sodium Malonate, pH 6.8, 10% Glycerol |
