4AJL
rat LDHA in complex with 3-(ethylcarbamoylamino)-N-(2-methyl-1,3- benzothiazol-6-yl)propanamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-15 |
| Detector | RIGAKU SATURN 944 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.289, 81.842, 129.023 |
| Unit cell angles | 90.00, 96.19, 90.00 |
Refinement procedure
| Resolution | 25.100 - 1.770 |
| R-factor | 0.1445 |
| Rwork | 0.142 |
| R-free | 0.18280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | INTERNAL RAT LDHA STRUCTURE |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.050 |
| 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] | 128.270 | 1.870 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.060 | 0.480 |
| Number of reflections | 100915 | |
| <I/σ(I)> | 13.4 | 1.5 |
| Completeness [%] | 80.5 | 22.2 |
| Redundancy | 3.2 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 1.5M SODIUM MALONATE PH 7.0, 2% GLYCEROL |
