1YQ1
Structural Genomics Of Caenorhabditis Elegans: glutathione S-Transferase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-12-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 69.605, 69.605, 222.653 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.220 - 3.000 |
| R-factor | 0.2241 |
| Rwork | 0.224 |
| R-free | 0.29700 |
| Structure solution method | SAD/MOLECULAR REPLACEMENT |
| Starting model (for MR) | COMBINATION OF HOMOLOGY MODEL AND INITIAL MODEL USING SAD PHASES |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.220 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.079 | 0.386 |
| Number of reflections | 12950 | |
| <I/σ(I)> | 13.2 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 14.1 | 14.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 1.75 M (NH4)2SO4, 0.1M MES, 0.1M KSCN, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
