3T5X
PCID2:DSS1 Structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-06-10 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.542 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 70.522, 70.522, 95.417 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.084 - 2.123 |
| R-factor | 0.2048 |
| Rwork | 0.205 |
| R-free | 0.23070 |
| Structure solution method | SAD |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.651 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHENIX (Autosol) |
| Refinement software | PHENIX ((phenix.refine: dev_764)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.230 |
| High resolution limit [Å] | 2.120 | 2.120 |
| Number of reflections | 14568 | |
| <I/σ(I)> | 14.1 | 3.2 |
| Completeness [%] | 91.0 | 94.6 |
| Redundancy | 7.3 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 292 | 25.5 % (w/v) PEG 2K MME, 0.95 M sodium formate, and 0.1 M MES (pH 6.5), VAPOR DIFFUSION, HANGING DROP, temperature 292K |
