4RAA
Crystal structure of a Putative exported protein (BF0058) from Bacteroides fragilis NCTC 9343 at 2.60 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-07-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91837,0.97947,0.97908 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 127.800, 55.210, 81.330 |
Unit cell angles | 90.00, 122.27, 90.00 |
Refinement procedure
Resolution | 61.243 - 2.600 |
R-factor | 0.2162 |
Rwork | 0.214 |
R-free | 0.25710 |
Structure solution method | MAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.713 |
Data reduction software | XDS |
Data scaling software | XSCALE (January 10, 2014 BUILT=20140307) |
Phasing software | SHELX |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 61.243 | 2.670 | |
High resolution limit [Å] | 2.600 | 11.640 | 2.600 |
Rmerge | 0.073 | 0.014 | 0.649 |
Number of reflections | 14464 | 285 | 1992 |
<I/σ(I)> | 8.59 | 39.8 | 1 |
Completeness [%] | 92.8 | 89.3 | 92.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.250M di-ammonium hydrogen phosphate, 22.1% polyethylene glycol 3350, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |