3SY6
Crystal structure of a fimbrial protein BF1861 [Bacteroides fragilis NCTC 9343] (BF1861) from Bacteroides fragilis NCTC 9343 at 1.90 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 | 2011-06-24 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91162,0.97932,0.97907 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 40.409, 120.462, 53.492 |
Unit cell angles | 90.00, 90.93, 90.00 |
Refinement procedure
Resolution | 28.598 - 1.900 |
R-factor | 0.1706 |
Rwork | 0.169 |
R-free | 0.21080 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.040 |
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] | 28.598 | 28.598 | 1.970 |
High resolution limit [Å] | 1.900 | 4.080 | 1.900 |
Rmerge | 0.077 | 0.030 | 0.614 |
Number of reflections | 39169 | 7613 | 7724 |
<I/σ(I)> | 7.38 | 20.9 | 1.6 |
Completeness [%] | 95.7 | 94.5 | 94.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 293 | 30.00% polyethylene glycol 3000, 0.1M CHES pH 9.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K |