3U1X
Crystal structure of a putative glycosyl hydrolase (BDI_1869) from Parabacteroides distasonis ATCC 8503 at 1.70 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-05 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | P 1 |
Unit cell lengths | 38.690, 41.214, 77.324 |
Unit cell angles | 92.98, 91.64, 117.97 |
Refinement procedure
Resolution | 27.459 - 1.700 |
R-factor | 0.1597 |
Rwork | 0.158 |
R-free | 0.19670 |
Structure solution method | SAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.346 |
Data reduction software | XDS |
Data scaling software | XSCALE (December 6, 2010) |
Phasing software | SHELX |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.459 | 1.760 | |
High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
Rmerge | 0.051 | 0.017 | 0.521 |
Number of reflections | 44063 | 8802 | 7644 |
<I/σ(I)> | 12 | 38 | 1.58 |
Completeness [%] | 93.2 | 94.7 | 83 |
Redundancy | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1M MES pH 6, 30% polyethylene glycol 6000, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |