1M1R
Reduced p222 crystal structure of the tetraheme cytochrome c of Shewanella oneidensis MR1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-08-01 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.882, 48.107, 58.234 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.020 |
R-factor | 0.149 |
Rwork | 0.148 |
R-free | 0.16500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1m1q |
RMSD bond length | 0.012 * |
RMSD bond angle | 2.130 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 10.000 |
High resolution limit [Å] | 1.020 |
Rmerge | 0.082 * |
Total number of observations | 275007 * |
Number of reflections | 47690 * |
Completeness [%] | 96.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 21 * | ammonium sulphate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | ammonium sulfate | 3.5-3.8 (M) | |
2 | 1 | reservoir | Bicine | 0.1 (M) | pH8.5-9.2 |
3 | 1 | drop | protein | 30 (mg/ml) |