4JX0
Crystal structure of a two domain protein with unknown function (BF3416) from Bacteroides fragilis NCTC 9343 at 2.90 A resolution
Experimental procedure
Experimental method | SAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-08-02 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 80.341, 118.742, 239.871 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.829 - 2.900 |
R-factor | 0.1967 |
Rwork | 0.195 |
R-free | 0.22880 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 0.940 |
Data reduction software | XDS |
Data scaling software | XSCALE (March 15, 2012) |
Phasing software | SHELX |
Refinement software | BUSTER-TNT (2.10.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.829 | 3.000 | |
High resolution limit [Å] | 2.900 | 6.190 | 2.900 |
Rmerge | 0.146 | 0.072 | 0.738 |
Number of reflections | 25634 | 2781 | 2336 |
<I/σ(I)> | 11.57 | 22.3 | 2.6 |
Completeness [%] | 98.8 | 98.5 | 94.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 0.2M magnesium chloride, 50.0% polyethylene glycol 200, 0.1M sodium cacodylate pH 6.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |