4POI
Crystal structure of a putative periplasmic protein (BACCAC_02096) from Bacteroides caccae ATCC 43185 at 2.30 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 | 2013-11-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91837,0.97895 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 104.881, 104.881, 56.070 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.904 - 2.300 |
R-factor | 0.2453 |
Rwork | 0.244 |
R-free | 0.27880 |
Structure solution method | MAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.502 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.904 | 46.900 | 2.380 |
High resolution limit [Å] | 2.300 | 4.930 | 2.300 |
Rmerge | 0.037 | 0.021 | 0.275 |
Number of reflections | 14400 | 1594 | 1353 |
<I/σ(I)> | 38.15 | 80.2 | 7.44 |
Completeness [%] | 99.7 | 98.7 | 99.9 |
Redundancy | 8.56 | 8.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 26.0% polyethylene glycol 3350, 0.20M potassium thiocyanate, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |