4AJI
rat LDHA in complex with 2-((3,4-dimethoxyphenyl)methyl))propanedioic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-03 |
| Detector | RIGAKU SATURN 944 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.923, 81.649, 128.994 |
| Unit cell angles | 90.00, 96.08, 90.00 |
Refinement procedure
| Resolution | 68.880 - 1.930 |
| R-factor | 0.16386 |
| Rwork | 0.162 |
| R-free | 0.19795 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | INTERNAL RAT LDHA STRUCTURE |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.263 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 128.270 | 2.030 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.070 | 0.450 |
| Number of reflections | 91505 | |
| <I/σ(I)> | 12.6 | 2 |
| Completeness [%] | 94.8 | 71.3 |
| Redundancy | 3.4 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 1.4 M SODIUM MALONATE PH 7.0, 2% GLYCEROL |
