2DSA
Ternary complex of BphK, a bacterial GST
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-05-25 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97 |
| Spacegroup name | H 3 |
| Unit cell lengths | 112.200, 112.200, 221.900 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.500 - 2.100 |
| R-factor | 0.20471 |
| Rwork | 0.203 |
| R-free | 0.23625 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f2e |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.259 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.058 | 0.540 |
| Number of reflections | 54562 | |
| Completeness [%] | 95.0 | |
| Redundancy | 4.5 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 1.0M K/NA tartrate, 0.1M MES, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
