2DSX
Crystal structure of rubredoxin from Desulfovibrio gigas to ultra-high 0.68 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL12B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL12B2 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2003-05-20 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.689 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 19.474, 41.324, 24.129 |
| Unit cell angles | 90.00, 108.20, 90.00 |
Refinement procedure
| Resolution | 10.000 - 0.680 |
| R-factor | 0.0991 |
| Rwork | 0.099 |
| R-free | 0.11070 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.427 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 0.750 |
| High resolution limit [Å] | 0.680 | 0.680 |
| Rmerge | 0.073 | 0.261 |
| Number of reflections | 52365 | |
| <I/σ(I)> | 24.2 | 3.6 |
| Completeness [%] | 92.6 | 57.1 |
| Redundancy | 16.6 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 296 | 4.2M ammonium sulfate, 0.1M citrite, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 296K |
