5W8I
Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 23 and Zinc
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-01-27 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 166.840, 80.430, 119.620 |
| Unit cell angles | 90.00, 117.73, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.950 |
| R-factor | 0.151 |
| Rwork | 0.149 |
| R-free | 0.18800 |
| Starting model (for MR) | IN-HOUSE APO SOLVED WITH MODEL 4JNK |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.083 | 0.556 |
| Number of reflections | 102092 | |
| <I/σ(I)> | 21.84 | 3.2 |
| Completeness [%] | 99.7 | 99.6 |
| Redundancy | 9.4 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.8 | 289 | 24% PEG 3350, 200 mM Sodium Malonate, pH 6.8, 10% Glycerol |
