4IYK
Crystal structure of a putative carbohydrate binding protein (BACUNI_04699) from Bacteroides uniformis ATCC 8492 at 2.00 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-11-21 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.918401,0.979369,0.979152 |
Spacegroup name | P 63 |
Unit cell lengths | 84.802, 84.802, 61.362 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.310 - 2.000 |
R-factor | 0.1752 |
Rwork | 0.173 |
R-free | 0.20700 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.090 |
Data reduction software | XDS |
Data scaling software | XSCALE (March 15, 2012) |
Phasing software | SHELX |
Refinement software | BUSTER-TNT |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.310 | 28.310 | 2.070 |
High resolution limit [Å] | 2.000 | 4.300 | 2.000 |
Rmerge | 0.049 | 0.022 | 0.440 |
Number of reflections | 17020 | 3334 | 3040 |
<I/σ(I)> | 15.22 | 39.1 | 2.2 |
Completeness [%] | 98.0 | 98.5 | 92 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 1.00M lithium chloride, 20.00% polyethylene glycol 6000, 0.1M HEPES pH 7.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K |