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 |
