3MPS
Peroxide Bound Oxidized Rubrerythrin from Pyrococcus furiosus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Detector technology | CCD |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.398, 105.164, 105.220 |
| Unit cell angles | 90.00, 90.13, 90.00 |
Refinement procedure
| Resolution | 105.410 - 2.000 |
| R-factor | 0.245 |
| Rwork | 0.242 |
| R-free | 0.29100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.215 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 105.410 |
| High resolution limit [Å] | 2.000 |
| Number of reflections | 117636 |
| Completeness [%] | 99.6 |
| Redundancy | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 6.5 | 297 | 0.1M Bis-Tris, 28% w/v polyethylene glycol monomethyl ether 2,000 , pH 6.5, EVAPORATION, temperature 297K |
