5G5E
Crystallographic structure of the Tau class glutathione S-transferase MiGSTU from mango Mangifera indica L.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | BRUKER D8 QUEST |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2015-05-12 |
Detector | BRUKER |
Wavelength(s) | 1.54178 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 88.162, 49.414, 53.348 |
Unit cell angles | 90.00, 103.17, 90.00 |
Refinement procedure
Resolution | 22.312 - 1.800 |
R-factor | 0.1626 |
Rwork | 0.161 |
R-free | 0.18980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | HOMOLOGY MODEL BASED ON THE STRUCTURE OF WHEAT TAU CLASS GLUTATHIONE S-TRANSFERASE. PDB ENTRY 1GWC. |
RMSD bond length | 0.009 |
RMSD bond angle | 1.230 |
Data reduction software | PROTEUM2 |
Data scaling software | SADABS |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.300 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.330 | 0.460 |
Number of reflections | 20863 | |
<I/σ(I)> | 28 | 16.8 |
Completeness [%] | 99.9 | 100 |
Redundancy | 19.4 | 11.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | 0.2 M AMMONIUM ACETATE, 0.1 M BIS-TRIS PH 6.0, 25%(W/V) POLYETHYLENE GLYCOL 3350 |