5W8H
Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 11
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-05-22 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97949 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 167.730, 81.210, 120.650 |
| Unit cell angles | 90.00, 118.22, 90.00 |
Refinement procedure
| Resolution | 48.170 - 1.800 |
| R-factor | 0.148 |
| Rwork | 0.147 |
| R-free | 0.18100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | proprietary structure of the same target |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.259 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.075 | 0.525 |
| Number of reflections | 131874 | |
| <I/σ(I)> | 11.38 | 2.9 |
| Completeness [%] | 99.6 | 99.8 |
| Redundancy | 3.63 | 3.68 |
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 |
