6AIR
High resolution structure of perdeuterated high-potential iron-sulfur protein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-06-13 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.7000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.287, 58.723, 23.489 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.350 - 0.850 |
Rwork | 0.096 |
R-free | 0.10750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3a39 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | SHELXL |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 0.860 |
High resolution limit [Å] | 0.850 | 0.850 |
Number of reflections | 56756 | |
<I/σ(I)> | 13.4 | 2 |
Completeness [%] | 99.0 | 87.9 |
Redundancy | 6.1 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.6 M d-ammonium sulfate, 0.1 M Na d-citrate pD 4.5 |