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 |
