3PNX
Crystal structure of a putative sulfurtransferase dsrE (Swol_2425) from Syntrophomonas wolfei str. Goettingen at 1.92 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 | 2010-04-08 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837,0.97960,0.97925 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 100.416, 76.504, 127.652 |
Unit cell angles | 90.00, 93.08, 90.00 |
Refinement procedure
Resolution | 29.453 - 1.920 |
R-factor | 0.1909 |
Rwork | 0.190 |
R-free | 0.21520 |
Structure solution method | MAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.218 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.453 | 29.453 | 1.990 |
High resolution limit [Å] | 1.920 | 4.130 | 1.920 |
Rmerge | 0.027 | 0.014 | 0.566 |
Number of reflections | 72995 | 13769 | 13916 |
<I/σ(I)> | 15.37 | 47.5 | 1.4 |
Completeness [%] | 95.7 | 94.4 | 94.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.67 | 277 | 0.80M sodium chloride, 24.00% polyethylene glycol 600, 10.00% Glycerol, 0.1M sodium cacodylate pH 6.67, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |