4GRT
HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, MIXED DISULFIDE BETWEEN TRYPANOTHIONE AND THE ENZYME
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 293 |
Detector technology | AREA DETECTOR |
Collection date | 1993-05 |
Detector | SIEMENS |
Spacegroup name | B 1 1 2 |
Unit cell lengths | 119.770, 84.980, 63.320 |
Unit cell angles | 90.00, 90.00, 58.15 |
Refinement procedure
Resolution | 10.000 - 2.800 |
R-factor | 0.189 |
Rwork | 0.189 |
Structure solution method | DIRECT BASED ON KNOWN MODEL |
Starting model (for MR) | 1grt |
RMSD bond length | 0.012 |
RMSD bond angle | 25.490 * |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | X-PLOR (3.1) |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 2.930 | |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.105 * | |
Total number of observations | 19274 * | |
Number of reflections | 12975 * | |
Completeness [%] | 86.6 | 38.4 |
Redundancy | 1.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 0.57-0.90 M AMMONIUM SULFATE,100 MM POTASSIUM PHOSPHATE, PH 8.0, AND 0.5% 1-N-BETA-OCTYL-D-GLUCOPYRANOSIDE HANGING DROP VAPOR DIFFUSION. CRYSTALS WERE SOAKED IN ARTIFICIAL MOTHER LIQUOR AT PH 6.5 CONTAINING 420 MM OXIDIZED GLUTATHIONE, vapor diffusion - hanging drop |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | ammonium sulfate | 0.57-0.59 (M) | |
2 | 1 | drop | potassium phosphate | 100 (mM) | |
3 | 1 | drop | 1-n-octyl-beta-D-glucopyranoside | 0.5 (%(w/v)) | |
4 | 1 | reservoir | ammonium sulfate | 0.57-0.59 (M) | |
5 | 1 | reservoir | potassium phosphate | 100 (mM) |