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 |