4QE0
Crystal structure of a DUF5043 family protein (BACUNI_01052) from Bacteroides uniformis ATCC 8492 at 1.85 A resolution
Experimental procedure
Experimental method | SAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-12-18 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 103.299, 103.299, 190.168 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.363 - 1.850 |
R-factor | 0.1563 |
Rwork | 0.155 |
R-free | 0.17530 |
Structure solution method | SAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.426 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.363 | 1.920 | |
High resolution limit [Å] | 1.850 | 3.980 | 1.850 |
Rmerge | 0.092 | 0.015 | 0.015 |
Number of reflections | 44188 | 8434 | 8827 |
<I/σ(I)> | 14.45 | 41 | 1.7 |
Completeness [%] | 100.0 | 99.7 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.83 | 277 | 1.75M ammonium sulfate, 4.0% (+)-1,3 Butanediol, 0.1M sodium citrate - citric acid pH 4.83, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |