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 |