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 |
