3VOR
Crystal Structure Analysis of the CofA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-26 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 33.820, 47.710, 42.450 |
| Unit cell angles | 90.00, 107.52, 90.00 |
Refinement procedure
| Resolution | 30.860 - 0.900 |
| R-factor | 0.121 |
| Rwork | 0.120 |
| R-free | 0.13000 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.541 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELX |
| Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.860 | 0.950 |
| High resolution limit [Å] | 0.900 | 0.900 |
| Rmerge | 0.050 | 0.170 |
| Number of reflections | 91809 | |
| <I/σ(I)> | 18.6 | 7.11 |
| Completeness [%] | 96.4 | 94.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 3.8 | 293 | 26% PEG 4000, pH 3.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
