4PWA
Crystal structure of the c-type cytochrome SorU from Sinorhizobium meliloti
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-05-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.954 |
Spacegroup name | F 2 2 2 |
Unit cell lengths | 70.949, 129.327, 197.059 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.190 - 2.190 |
R-factor | 0.188 |
Rwork | 0.185 |
R-free | 0.24100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4pw9 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.242 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 |
High resolution limit [Å] | 2.190 | 2.200 |
Rmerge | 0.133 | 0.796 |
Number of reflections | 23434 | |
<I/σ(I)> | 6 | 1.6 |
Completeness [%] | 99.9 | 100 |
Redundancy | 4.1 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 1.8M TRI-SODIUM CITRATE PH 5.5, 0.1M GLYCINE, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K |