4R5O
Crystal structure of a Quinonprotein alcohol dehydrogenase-like protein (BT1487) from Bacteroides thetaiotaomicron VPI-5482 at 2.64 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 | 2013-08-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91837,0.97941,0.97868 |
Spacegroup name | P 31 |
Unit cell lengths | 155.545, 155.545, 94.635 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.395 - 2.640 |
R-factor | 0.1777 |
Rwork | 0.176 |
R-free | 0.20250 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.230 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | BUSTER-TNT (2.10.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.395 | 29.395 | 2.740 |
High resolution limit [Å] | 2.640 | 5.670 | 2.640 |
Rmerge | 0.052 | 0.024 | 0.405 |
Number of reflections | 73803 | 14311 | 13665 |
<I/σ(I)> | 11.65 | 25.9 | 1.8 |
Completeness [%] | 94.6 | 93.5 | 96.5 |
Redundancy | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.20 M calcium acetate, 40.00% polyethylene glycol 300, 0.1M sodium cacodylate pH 6.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K |