4AJ1
rat LDHA in complex with N-(2-(methylamino)-1,3-benzothiazol-6-yl) acetamide
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 | 62.241, 81.914, 128.869 |
| Unit cell angles | 90.00, 96.18, 90.00 |
Refinement procedure
| Resolution | 49.370 - 1.870 |
| R-factor | 0.17629 |
| Rwork | 0.173 |
| R-free | 0.23109 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | INTERNAL RAT LDHA STRUCTURE |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.482 |
| 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] | 64.060 | 1.940 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmerge | 0.070 | 0.270 |
| Number of reflections | 78548 | |
| <I/σ(I)> | 8.3 | 2.2 |
| Completeness [%] | 73.8 | 33.7 |
| Redundancy | 2.81 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 1.5 M NA MALONATE PH 7.0, 2% GLYCEROL |
