4R03
Crystal structure of a DUF3836 family protein (BDI_3222) from Parabacteroides distasonis ATCC 8503 at 1.50 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-06-10 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.95369,0.97934,0.97907 |
Spacegroup name | I 21 21 21 |
Unit cell lengths | 59.001, 71.697, 82.683 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.084 - 1.500 |
R-factor | 0.1675 |
Rwork | 0.166 |
R-free | 0.18760 |
Structure solution method | MAD |
RMSD bond length | 0.020 |
RMSD bond angle | 1.736 |
Data reduction software | XDS |
Data scaling software | XSCALE (January 10, 2014 BUILT=20140307) |
Phasing software | SHELX |
Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.084 | 27.084 | 1.600 |
High resolution limit [Å] | 1.500 | 3.310 | 1.500 |
Rmerge | 0.045 | 0.027 | 0.483 |
Number of reflections | 27948 | 2759 | 4505 |
<I/σ(I)> | 14.96 | 38 | 1.9 |
Completeness [%] | 98.2 | 98.8 | 91.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 277 | 40.00% 2-methyl-2,4-pentanediol, 0.1M phosphate-citrate pH 4.2, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |