5WQQ
High resolution structure of high-potential iron-sulfur protein in the oxidized state
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 40 |
Detector technology | CCD |
Collection date | 2010-07-02 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.4 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.336, 58.813, 23.438 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 14.970 - 0.800 |
R-factor | 0.116 |
Rwork | 0.116 |
R-free | 0.12900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3a39 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Refinement software | SHELXL (97) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 14.965 | 0.840 |
High resolution limit [Å] | 0.800 | 0.800 |
Rmerge | 0.533 | |
Number of reflections | 65319 | |
<I/σ(I)> | 9.2 | 1.7 |
Completeness [%] | 95.3 | 74.7 |
Redundancy | 6.1 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 1.8-2.0 M ammonium sulfate, 0.1 M sodium citrate, 10 mM K3[Fe(CN)6] |