4YOD
Crystal structure of a thioredoxin-like protein (BACCAC_02376) from Bacteroides caccae ATCC 43185 at 1.90 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-01-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184,0.9796,0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.210, 45.420, 70.670 |
Unit cell angles | 90.00, 97.42, 90.00 |
Refinement procedure
Resolution | 28.343 - 1.900 |
R-factor | 0.1789 |
Rwork | 0.177 |
R-free | 0.21440 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 0.940 |
Data scaling software | XSCALE (November 3, 2014 BUILT=20141118) |
Phasing software | SHELX |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.343 | 1.980 | |
High resolution limit [Å] | 1.900 | 4.100 | 1.910 |
Rmerge | 0.040 | 0.023 | 0.505 |
Rmeas | 0.056 | 0.032 | 0.702 |
Total number of observations | 72712 | ||
Number of reflections | 22102 | 4029 | 4056 |
<I/σ(I)> | 10.6 | 24.8 | 2 |
Completeness [%] | 91.7 | 88.5 | 89 |
Redundancy | 1.77 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 277 | 30% polyethylene glycol 6000, 0.1M Bicine pH 9.0 |