4AJ2
rat LDHA in complex with 5-(2-chlorophenyl)-1H-tetrazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-08 |
| Detector | RIGAKU SATURN 944 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.000, 81.730, 128.780 |
| Unit cell angles | 90.00, 96.02, 90.00 |
Refinement procedure
| Resolution | 49.210 - 1.750 |
| R-factor | 0.15969 |
| Rwork | 0.158 |
| R-free | 0.19350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | INTERNAL RAT LDHA STRUCTURE |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.102 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.900 | 1.820 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.060 | 0.210 |
| Number of reflections | 91637 | |
| <I/σ(I)> | 11.7 | 2.1 |
| Completeness [%] | 71.5 | 9 |
| Redundancy | 3.27 | 1.39 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 1.5M NA MALONATE PH 7.0, 2% GLYCEROL |
