4Q0Y
Crystal structure of a thioesterase-like protein (CLOSPO_01618) from Clostridium sporogenes ATCC 15579 at 1.70 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 | PIXEL |
Collection date | 2013-11-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91837,0.97935,0.97901 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 34.224, 96.134, 118.711 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.678 - 1.700 |
R-factor | 0.1852 |
Rwork | 0.184 |
R-free | 0.20200 |
Structure solution method | MAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.537 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.678 | 29.678 | 1.760 |
High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
Rmerge | 0.061 | 0.026 | 0.516 |
Number of reflections | 43968 | 8062 | 8051 |
<I/σ(I)> | 10.41 | 31.5 | 1.8 |
Completeness [%] | 97.8 | 95.7 | 97.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 277 | 0.100M Cadmium Chloride, 30.00% polyethylene glycol 400, 0.1M sodium acetate pH 4.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |