3PZA
Fully Reduced (All-ferrous) Pyrococcus rubrerythrin after a 10 second exposure to peroxide.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Detector technology | CCD |
| Collection date | 2010-11-21 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 104.602, 104.602, 79.591 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.710 - 1.850 |
| R-factor | 0.1768 |
| Rwork | 0.176 |
| R-free | 0.19980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.035 |
| RMSD bond angle | 2.239 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.850 |
| Rmerge | 0.101 |
| Number of reflections | 38044 |
| <I/σ(I)> | 42 |
| Completeness [%] | 99.4 |
| Redundancy | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Capillary batch | 7 | 291 | 0.025 M HEPES pH 7.0, 8% PEG 2000 MME, Capillary batch, temperature 291K |
