4JBB
Crystal structure of Glutathione S-transferase A6TBY7(Target EFI-507184) from Klebsiella pneumoniae MGH 78578, GSH complex
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 | 2012-02-06 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.075 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 67.897, 67.897, 97.547 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.570 - 1.480 |
R-factor | 0.10901 |
Rwork | 0.108 |
R-free | 0.13078 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bby |
RMSD bond length | 0.011 |
RMSD bond angle | 1.245 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.510 |
High resolution limit [Å] | 1.480 | 1.480 |
Rmerge | 0.601 | |
Number of reflections | 43402 | |
<I/σ(I)> | 12.9 | 2.4 |
Completeness [%] | 98.9 | 100 |
Redundancy | 6.3 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 3.5M SODIUM PHORMATE, PH 7.0 VAPOR DIFFUSION, SITTING DROP |