4AJH
rat LDHA in complex with N-(2-methyl-1,3-benzothiazol-6-yl)-3-ureido- propanamide and 2-(4-bromophenoxy)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 | 2010-05-12 |
| Detector | RIGAKU SATURN 944 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.055, 81.656, 128.941 |
| Unit cell angles | 90.00, 96.11, 90.00 |
Refinement procedure
| Resolution | 64.100 - 1.930 |
| R-factor | 0.1533 |
| Rwork | 0.151 |
| R-free | 0.18890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | INTERNAL RAT LDHA STRUCTURE |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.090 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.11.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 128.210 | 2.030 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.070 | 0.370 |
| Number of reflections | 88736 | |
| <I/σ(I)> | 11 | 1.9 |
| Completeness [%] | 92.3 | 64.8 |
| Redundancy | 3.4 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 1.5M SODIUM MALONATE PH 7.0, 2% GLYCEROL |
