4EIU
Crystal structure of a DUF3823 family protein (BACUNI_03093) from Bacteroides uniformis ATCC 8492 at 1.90 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-03-13 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 83.895, 83.895, 112.365 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.661 - 1.900 |
R-factor | 0.1803 |
Rwork | 0.179 |
R-free | 0.20650 |
Structure solution method | SAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.675 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | SHELX |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.661 | 29.661 | 1.950 |
High resolution limit [Å] | 1.900 | 8.500 | 1.900 |
Rmerge | 0.064 | 0.972 | |
Total number of observations | 3869 | 27977 | |
Number of reflections | 32310 | ||
<I/σ(I)> | 12.4 | 10.4 | 2.6 |
Completeness [%] | 99.9 | 94.9 | 100 |
Redundancy | 11.9 | 9.3 | 11.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 277 | 50.0% polyethylene glycol 200, 0.1M CHES pH 9.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |