1U87
Crystal Structure Of The 26 Kda Glutathione S-Transferase Y7F mutant From Schistosoma Japonicum Complexed With Glutathione
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200HB |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 2003-08-23 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 123.050, 123.050, 72.510 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.560 - 3.500 |
R-factor | 0.199 |
Rwork | 0.199 |
R-free | 0.27100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gta |
RMSD bond length | 0.009 |
RMSD bond angle | 1.400 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 3.690 |
High resolution limit [Å] | 3.500 | 3.500 |
Rmerge | 0.170 | 0.590 |
Number of reflections | 6781 | |
<I/σ(I)> | 4 | |
Completeness [%] | 97.9 | |
Redundancy | 8.7 | 8.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 297 | 0.2M sodium citrate, 2M ammonium sulphate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 297K |