3HBK
Crystal structure of putative glycosyl hydrolase, was Domain of Unknown Function (DUF1080) (YP_001302580.1) from Parabacteroides distasonis ATCC 8503 at 2.36 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-03-19 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837,0.97932,0.97915 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 61.009, 61.009, 167.332 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.336 - 2.360 |
R-factor | 0.2 |
Rwork | 0.198 |
R-free | 0.24500 |
Structure solution method | MAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.651 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.336 | 29.336 | 2.440 |
High resolution limit [Å] | 2.360 | 5.060 | 2.360 |
Rmerge | 0.069 | 0.031 | 0.951 |
Number of reflections | 13756 | 2533 | 2216 |
<I/σ(I)> | 13.77 | 36.5 | 1.4 |
Completeness [%] | 99.1 | 99.2 | 92.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 0.2000M Li2SO4, 30.0000% PEG-4000, 0.1M TRIS pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |