6Q0D
CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00384414-01 AT 2.05 A RESOLUTION
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 | 2015-11-05 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 212.040, 128.070, 104.140 |
| Unit cell angles | 90.00, 119.35, 90.00 |
Refinement procedure
| Resolution | 46.680 - 2.050 |
| Rwork | 0.184 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5w8h |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.900 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.680 | 9.700 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.064 | 0.494 |
| Number of reflections | 150548 | 35565 |
| <I/σ(I)> | 12.91 | 2.39 |
| Completeness [%] | 99.1 | 99.5 |
| Redundancy | 3.15 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 289 | 5% (W/V) PEG 1000, 100 MM SODIUM PHOSPHATE DIBASIC/CITRIC ACID (PH 4.2) 40% (V/V) REAGENT |
