6MV8
LDHA structure in complex with inhibitor 14
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 193 |
| Detector technology | PIXEL |
| Collection date | 2012-07-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97945 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.125, 80.968, 103.214 |
| Unit cell angles | 90.00, 98.33, 90.00 |
Refinement procedure
| Resolution | 50.010 - 1.950 |
| R-factor | 0.1675 |
| Rwork | 0.167 |
| R-free | 0.21510 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.509 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 38.651 | 38.651 | 2.050 |
| High resolution limit [Å] | 1.947 | 6.160 | 1.950 |
| Rmerge | 0.016 | 0.491 | |
| Rmeas | 0.055 | 0.018 | 0.583 |
| Rpim | 0.029 | 0.010 | 0.310 |
| Total number of observations | 312212 | ||
| Number of reflections | 91115 | 2960 | 13021 |
| <I/σ(I)> | 16.6 | 34.3 | 1.6 |
| Completeness [%] | 97.8 | 96.9 | 95.9 |
| Redundancy | 3.4 | 3.3 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 292 | 30%PEG3350 0.1M HEPES |
