2HR5
PF1283- Rubrerythrin from Pyrococcus furiosus iron bound form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-02-12 |
| Detector | MARMOSAIC 300 mm CCD |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 105.402, 105.402, 80.095 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.710 - 2.700 |
| R-factor | 0.18 |
| Rwork | 0.176 |
| R-free | 0.24700 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | 1nnq |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.181 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.730 | 2.770 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 12220 | |
| <I/σ(I)> | 12.8 | 26.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.9 | 12.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 291 | 20% (w/v) PEG-3000,0.1M Tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K, pH 7.00 |
