3SEE
Crystal structure of a putative sugar binding protein (BT_4411) from Bacteroides thetaiotaomicron VPI-5482 at 1.25 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 | 2011-05-25 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837,0.97944,0.97901 |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 50.473, 50.473, 228.461 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.558 - 1.250 |
R-factor | 0.1307 |
Rwork | 0.130 |
R-free | 0.14880 |
Structure solution method | MAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.534 |
Data reduction software | XDS |
Data scaling software | XSCALE (December 6, 2010) |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.558 | 28.558 | 1.290 |
High resolution limit [Å] | 1.250 | 2.690 | 1.250 |
Rmerge | 0.071 | 0.027 | 0.708 |
Number of reflections | 83306 | 15731 | 13793 |
<I/σ(I)> | 13.41 | 44.3 | 2.1 |
Completeness [%] | 99.8 | 99.9 | 97.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | 40.00% polyethylene glycol 600, 0.10M sodium chloride, 0.1M sodium citrate pH 5.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |