3VLN
Human Glutathione Transferase O1-1 C32S Mutant in Complex with Ascorbic Acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-01-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0000000 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 56.918, 56.918, 140.511 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 1.700 |
| R-factor | 0.18222 |
| Rwork | 0.180 |
| R-free | 0.21749 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1eem |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.860 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.290 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.061 | 0.696 |
| Number of reflections | 29768 | |
| <I/σ(I)> | 40.9 | 4.14 |
| Completeness [%] | 99.2 | 98.7 |
| Redundancy | 7.2 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.75 | 298 | 2.2M ammonium sulfate, 0.1M sodium acetate pH 4.75, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
