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 |