2OOK
Crystal structure of a protein with unknown function (YP_749275.1) from Shewanella Frigidimarina NCIMB 400 at 1.80 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-01-07 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837, 0.97910, 0.97879 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 80.579, 40.412, 78.050 |
Unit cell angles | 90.00, 92.23, 90.00 |
Refinement procedure
Resolution | 28.571 - 1.800 |
R-factor | 0.186 |
Rwork | 0.183 |
R-free | 0.23300 |
Structure solution method | MAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.526 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.571 | 28.570 | 1.850 |
High resolution limit [Å] | 1.800 | 8.050 | 1.800 |
Rmerge | 0.056 | 0.029 | 0.653 |
Total number of observations | 908 | 6294 | |
Number of reflections | 22625 | ||
<I/σ(I)> | 13.6 | 23 | 2.1 |
Completeness [%] | 96.5 | 93.5 | 95.3 |
Redundancy | 3.8 | 3.4 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.3 | 277 | NANODROP, 0.2M Calcium acetate, 20.0% PEG-3350, No Buffer, pH 7.3, VAPOR DIFFUSION, SITTING DROP, temperature 277K |