3TC9
Crystal structure of an auxiliary nutrient binding protein (BT_3476) from Bacteroides thetaiotaomicron VPI-5482 at 2.23 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 | 2011-06-22 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837,0.97932,0.97913 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 239.670, 51.250, 75.990 |
Unit cell angles | 90.00, 93.61, 90.00 |
Refinement procedure
Resolution | 29.899 - 2.230 |
R-factor | 0.1632 |
Rwork | 0.161 |
R-free | 0.20550 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.090 |
Data reduction software | XDS |
Data scaling software | XSCALE (December 6, 2010) |
Phasing software | SHELX |
Refinement software | BUSTER-TNT (2.8.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.899 | 29.899 | 2.310 |
High resolution limit [Å] | 2.230 | 4.780 | 2.230 |
Rmerge | 0.065 | 0.025 | 0.526 |
Number of reflections | 45197 | 8651 | 8551 |
<I/σ(I)> | 8.31 | 23.4 | 1.4 |
Completeness [%] | 97.7 | 96.6 | 97.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 20.00% polyethylene glycol 3350, 0.20M sodium dihydrogen phosphate, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |