3MX3
Crystal structure of a SusD homolog (BF0972) from Bacteroides fragilis NCTC 9343 at 2.00 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 | 2010-01-24 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837,0.97925,0.97913 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 153.350, 87.876, 78.253 |
Unit cell angles | 90.00, 116.66, 90.00 |
Refinement procedure
Resolution | 29.182 - 2.000 |
R-factor | 0.167 |
Rwork | 0.164 |
R-free | 0.21600 |
Structure solution method | MAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.476 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.182 | 29.182 | 2.070 |
High resolution limit [Å] | 2.000 | 4.300 | 2.000 |
Rmerge | 0.096 | 0.035 | 0.350 |
Number of reflections | 61624 | 11903 | 11175 |
<I/σ(I)> | 6.35 | 14.5 | 1.9 |
Completeness [%] | 95.4 | 95.3 | 92.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.2000M magnesium chloride, 30.0000% polyethylene glycol 4000, 0.1M TRIS pH 8.5, Additive: 0.001 M glucose, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 293K |