4AJN
rat LDHA in complex with 2-((4-(2-((3-((2-methyl-1,3-benzothiazol-6- yl)amino)-3-oxo-propyl)carbamoylamino)ethyl)phenyl)methyl) 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 | 2010-06-29 |
Detector | RIGAKU SATURN 944 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 62.222, 82.728, 129.481 |
Unit cell angles | 90.00, 96.23, 90.00 |
Refinement procedure
Resolution | 65.590 - 2.100 |
R-factor | 0.18111 |
Rwork | 0.179 |
R-free | 0.22371 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | INTERNAL RAT LDHA STRUCTURE |
RMSD bond length | 0.012 |
RMSD bond angle | 1.409 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 128.720 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.100 | 0.500 |
Number of reflections | 75861 | |
<I/σ(I)> | 9 | 2.2 |
Completeness [%] | 99.5 | 99.8 |
Redundancy | 3.6 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 1.5M SODIUM MALONATE PH 7.0, 2% GLYCEROL |