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 |