3EJK
Crystal structure of dTDP Sugar Isomerase (YP_390184.1) from DESULFOVIBRIO DESULFURICANS G20 at 1.95 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 | 2008-08-10 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91162,0.97911,0.97932 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 81.790, 86.510, 51.340 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.722 - 1.950 |
R-factor | 0.171 |
Rwork | 0.169 |
R-free | 0.21700 |
Structure solution method | MAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.721 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SOLVE |
Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.722 | 29.722 | 2.020 |
High resolution limit [Å] | 1.950 | 4.190 | 1.950 |
Rmerge | 0.102 | 0.033 | 0.497 |
Number of reflections | 13593 | 2563 | 2516 |
<I/σ(I)> | 7.09 | 19.4 | 1.7 |
Completeness [%] | 98.5 | 98.7 | 96.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | 30.0000% PEG-6000, 0.1M Citrate pH 5.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |