4E0E
Crystal structure of a DUF4450 family protein (BT_4147) from Bacteroides thetaiotaomicron VPI-5482 at 2.90 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 | 2011-12-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97903,0.91837 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 35.880, 146.470, 72.370 |
Unit cell angles | 90.00, 99.71, 90.00 |
Refinement procedure
Resolution | 48.823 - 2.900 |
R-factor | 0.1919 |
Rwork | 0.190 |
R-free | 0.22220 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.080 |
Data reduction software | XDS |
Data scaling software | XSCALE (December 29, 2011) |
Phasing software | SHELX |
Refinement software | BUSTER-TNT (2.10.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.823 | 48.823 | 2.970 |
High resolution limit [Å] | 2.900 | 12.950 | 2.900 |
Rmerge | 0.075 | 0.033 | 0.569 |
Rmeas | 0.040 | 0.692 | |
Number of reflections | 15744 | 177 | 1166 |
<I/σ(I)> | 11.66 | 34.1 | 2 |
Completeness [%] | 95.5 | 88.5 | 95.9 |
Redundancy | 2.931 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9.67 | 277 | 22.00% polyethylene glycol 3000, 0.1M CHES pH 9.67, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |