3S5Q
Crystal structure of a putative glycosyl hydrolase (BDI_2473) from Parabacteroides distasonis ATCC 8503 at 1.85 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 | CCD |
Collection date | 2009-07-07 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97954,0.91837,0.97874 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.062, 60.473, 77.221 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.250 - 1.850 |
R-factor | 0.1711 |
Rwork | 0.169 |
R-free | 0.20180 |
Structure solution method | MAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.529 |
Data reduction software | XDS |
Data scaling software | XSCALE (January 30) |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.250 | 36.250 | 1.920 |
High resolution limit [Å] | 1.850 | 3.980 | 1.850 |
Rmerge | 0.097 | 0.033 | 0.683 |
Number of reflections | 16569 | 1816 | 1684 |
<I/σ(I)> | 11.41 | 32.3 | 2.1 |
Completeness [%] | 97.1 | 97.3 | 96.1 |
Redundancy | 3.98 | 3.99 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 277 | 0.200M NH4I, 20.00% PEG-3350, No Buffer pH 6.2, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |