3UBK
Crystal structure of glutathione transferase (TARGET EFI-501770) from leptospira interrogans
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 | 82.843, 82.843, 175.608 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.950 |
| R-factor | 0.20136 |
| Rwork | 0.200 |
| R-free | 0.23234 |
| Structure solution method | MR |
| Starting model (for MR) | 3cbu |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.012 |
| 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 | 0.840 | |
| Number of reflections | 46029 | |
| <I/σ(I)> | 6.4 | 1.5 |
| Completeness [%] | 98.9 | 83 |
| Redundancy | 15.1 | 10.2 |
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 |
