4AJ2
rat LDHA in complex with 5-(2-chlorophenyl)-1H-tetrazole
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 | 62.000, 81.730, 128.780 |
Unit cell angles | 90.00, 96.02, 90.00 |
Refinement procedure
Resolution | 49.210 - 1.750 |
R-factor | 0.15969 |
Rwork | 0.158 |
R-free | 0.19350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | INTERNAL RAT LDHA STRUCTURE |
RMSD bond length | 0.008 |
RMSD bond angle | 1.102 |
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] | 68.900 | 1.820 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.060 | 0.210 |
Number of reflections | 91637 | |
<I/σ(I)> | 11.7 | 2.1 |
Completeness [%] | 71.5 | 9 |
Redundancy | 3.27 | 1.39 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 1.5M NA MALONATE PH 7.0, 2% GLYCEROL |