6SBV
X-ray Structure of Human LDH-A with an Allosteric Inhibitor (Compound 7)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-07-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918409 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.369, 146.287, 308.362 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.930 - 2.600 |
| R-factor | 0.21954 |
| Rwork | 0.219 |
| R-free | 0.24233 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4l4r |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.287 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.760 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmeas | 0.225 | 0.861 |
| Number of reflections | 112371 | 17771 |
| <I/σ(I)> | 6.18 | 1.63 |
| Completeness [%] | 99.5 | 98.7 |
| Redundancy | 5.4 | 5.4 |
| CC(1/2) | 0.991 | 0.797 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M HEPES pH 7.5-7.7, 4-8% PEG 8000, 20% ethylene glycol, and 10% acetonitrile |
