3GF8
Crystal structure of putative polysaccharide binding proteins (DUF1812) (NP_809975.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 2.20 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 | 2009-01-09 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91162,0.97927,0.97915 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 106.894, 106.894, 79.144 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.643 - 2.200 |
R-factor | 0.191 |
Rwork | 0.189 |
R-free | 0.22900 |
Structure solution method | MAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.525 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.5) |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0053) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.643 | 29.650 | 2.260 |
High resolution limit [Å] | 2.200 | 9.840 | 2.200 |
Rmerge | 0.097 | 0.042 | 0.650 |
Total number of observations | 990 | 7014 | |
Number of reflections | 23862 | ||
<I/σ(I)> | 6.793 | 14.3 | 1.2 |
Completeness [%] | 99.9 | 94.3 | 100 |
Redundancy | 4 | 3.3 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 1.4M sodium citrate, 0.1 M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |