3PWF
High resolution structure of the fully reduced form of rubrerythrin from P. furiosus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-10-07 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 104.870, 104.870, 79.840 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.630 - 1.640 |
| R-factor | 0.1669 |
| Rwork | 0.166 |
| R-free | 0.18800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.042 |
| RMSD bond angle | 2.670 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 70.000 |
| High resolution limit [Å] | 1.600 |
| Rmerge | 0.091 |
| Number of reflections | 55211 |
| <I/σ(I)> | 31 |
| Completeness [%] | 99.8 |
| Redundancy | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 291 | 10 mM HEPES pH 7.0, 8% PEG MME 2000, Capillary Batch, temperature 18K, temperature 291K |
