3UBL
Crystal structure of glutathione transferase (TARGET EFI-501770) from leptospira interrogans with gsh bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-10-07 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 82.591, 82.591, 175.701 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.000 |
R-factor | 0.20143 |
Rwork | 0.200 |
R-free | 0.23534 |
Structure solution method | MR |
Starting model (for MR) | 3ubk |
RMSD bond length | 0.008 |
RMSD bond angle | 1.017 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.970 |
High resolution limit [Å] | 1.940 | 1.940 |
Rmerge | 0.920 | |
Number of reflections | 45757 | |
<I/σ(I)> | 7 | 1.2 |
Completeness [%] | 94.5 | 60 |
Redundancy | 15.2 | 10.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 0.1M BIS-TRIS, PH 5.5, 2M AMMONIUM SULFATE, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |