3OWR
Crystal structure of a putative secreted protein (BF4250) from Bacteroides fragilis NCTC 9343 at 1.81 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 | 2010-07-22 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97903,0.97922,0.91837 |
Spacegroup name | P 4 |
Unit cell lengths | 103.967, 103.967, 59.866 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.496 - 1.810 |
R-factor | 0.1679 |
Rwork | 0.166 |
R-free | 0.20170 |
Structure solution method | MAD |
RMSD bond length | 0.014 |
RMSD bond angle | 1.460 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.496 | 46.496 | 1.870 |
High resolution limit [Å] | 1.810 | 3.890 | 1.810 |
Rmerge | 0.122 | 0.050 | 0.689 |
Number of reflections | 58472 | 6046 | 5408 |
<I/σ(I)> | 12.74 | 37.4 | 2.2 |
Completeness [%] | 100.0 | 99.9 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.33 | 293 | 45.5% polyethylene glycol 600, 0.1M phosphate-citrate pH 4.33, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K |