4KQ7
Crystal structure of a DUF2961 family protein (BACUNI_00161) from Bacteroides uniformis ATCC 8492 at 1.62 A resolution
Experimental procedure
Experimental method | SAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-01-24 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 3 |
Unit cell lengths | 133.926, 133.926, 133.926 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.350 - 1.620 |
R-factor | 0.1385 |
Rwork | 0.138 |
R-free | 0.15670 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.030 |
Data reduction software | XDS |
Data scaling software | XSCALE (July 4, 2012) |
Phasing software | SHELX |
Refinement software | BUSTER-TNT (2.10.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.350 | 1.680 | |
High resolution limit [Å] | 1.620 | 3.480 | 1.620 |
Rmerge | 0.098 | 0.046 | 0.821 |
Number of reflections | 101280 | 10547 | 10352 |
<I/σ(I)> | 12.73 | 33.3 | 2.3 |
Completeness [%] | 99.9 | 99.8 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 277 | 40.0% polyethylene glycol 300, 40.0% polyethylene glycol 300, 0.1M phosphate-citrate pH 4.2, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |