4AJK
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 | 2010-04-21 |
Detector | RIGAKU SATURN 944 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 62.174, 81.749, 128.975 |
Unit cell angles | 90.00, 96.14, 90.00 |
Refinement procedure
Resolution | 29.390 - 2.030 |
R-factor | 0.1496 |
Rwork | 0.147 |
R-free | 0.19030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | INTERNAL RAT LDHA STRUCTURE |
RMSD bond length | 0.010 |
RMSD bond angle | 1.120 |
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] | 128.230 | 2.140 |
High resolution limit [Å] | 2.030 | 2.030 |
Rmerge | 0.110 | 0.500 |
Number of reflections | 81625 | |
<I/σ(I)> | 9.1 | 2.3 |
Completeness [%] | 98.8 | 95.4 |
Redundancy | 3.5 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 1.4 M SODIUM MALONATE PH 7.0, 2% GLYCEROL |