1VF3
cGSTA1-1 in complex with glutathione conjugate of CDNB
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 123 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-09-23 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 99.258, 114.182, 94.634 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.370 - 2.150 |
| Rwork | 0.217 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vf1 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.370 | 2.250 |
| High resolution limit [Å] | 2.140 | 2.150 |
| Rmerge | 0.074 | 0.420 |
| Number of reflections | 28062 | |
| <I/σ(I)> | 10 | 2.26 |
| Completeness [%] | 95.8 | 87.6 |
| Redundancy | 7.23 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | sodium cacodylate, magnesium acetate, PEG8000, choloro-2,4-dinitrobenzene, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
