1U88
Crystal Structure Of The 26 Kda Glutathione S-Transferase Y7F mutant From Schistosoma Japonicum Complexed With S-Octyl Glutathione
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200HB |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 2003-09-17 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54 |
Spacegroup name | P 63 |
Unit cell lengths | 116.100, 116.100, 73.200 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.730 - 3.500 |
R-factor | 0.22 |
Rwork | 0.220 |
R-free | 0.31700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | GlutathioneS-transferase Y7F mutant from Schistosoma Japonicum |
RMSD bond length | 0.010 |
RMSD bond angle | 1.600 |
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] | 20.000 | 3.690 |
High resolution limit [Å] | 3.500 | 3.500 |
Rmerge | 0.150 | 0.470 |
Number of reflections | 6280 | |
<I/σ(I)> | 5.7 | |
Completeness [%] | 82.5 | 82.5 |
Redundancy | 2.6 | 2.5 |
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 |