4QO8
Lactate Dehydrogenase A in complex with substituted 3-Hydroxy-2-mercaptocyclohex-2-enone compound 104
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) | 0.9774 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 168.352, 81.257, 120.760 |
| Unit cell angles | 90.00, 117.61, 90.00 |
Refinement procedure
| Resolution | 42.415 - 2.001 |
| R-factor | 0.1568 |
| Rwork | 0.157 |
| R-free | 0.20440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4m49 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.003 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.000 |
| Number of reflections | 97141 |
| <I/σ(I)> | 14.8 |
| Completeness [%] | 100.0 |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | PEG3350, sodium malonate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
