3UCP
Outer membrane Endecaheme cytochrome UndA from Shewanella sp. HRCR-6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-08-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9762 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.640, 106.090, 151.650 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.910 - 1.760 |
R-factor | 0.14565 |
Rwork | 0.144 |
R-free | 0.17740 |
Structure solution method | SAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.450 |
Data reduction software | MOSFLM |
Data scaling software | xia2 |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.800 | 1.860 |
High resolution limit [Å] | 1.760 | 1.760 |
Rmerge | 0.094 | 0.332 |
Number of reflections | 110938 | |
<I/σ(I)> | 4.8 | 3.7 |
Completeness [%] | 99.8 | 99.3 |
Redundancy | 3.9 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.1M MES, 50 mM MgCl2, 50 mM NaCl, 15% PEG5K, 20% Glycerol, 25mM 9,10-Anthraquinone 2,6-disulfonate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |