2Q9R
CRYSTAL STRUCTURE OF a DUF416 family protein (SBAL_3149) FROM SHEWANELLA BALTICA OS155 AT 1.91 A RESOLUTION
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-06-03 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837, 0.97922, 0.97905 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 68.570, 77.140, 87.170 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.062 - 1.910 |
R-factor | 0.171 |
Rwork | 0.169 |
R-free | 0.21500 |
Structure solution method | MAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.456 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.062 | 29.062 | 1.980 |
High resolution limit [Å] | 1.910 | 4.100 | 1.910 |
Rmerge | 0.041 | 0.017 | 0.633 |
Number of reflections | 18196 | 3444 | 3432 |
<I/σ(I)> | 13.64 | 45 | 1.6 |
Completeness [%] | 99.2 | 97.7 | 97.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | NANODROP, 2.4M (NH4)2SO4, 0.1M MES pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |