4M49
Lactate Dehydrogenase A in complex with a substituted pyrazine inhibitor compound 18
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2011-10-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 168.379, 81.821, 120.665 |
| Unit cell angles | 90.00, 117.65, 90.00 |
Refinement procedure
| Resolution | 41.743 - 2.052 |
| R-factor | 0.1717 |
| Rwork | 0.171 |
| R-free | 0.22370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1i10 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.972 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.050 |
| Rmerge | 0.055 |
| Number of reflections | 90472 |
| <I/σ(I)> | 22 |
| Completeness [%] | 99.9 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 300 | PEG3350, HEPES, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 300K |
