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 |