2GF6
CRYSTAL STRUCTURE OF A PUTATIVE THIOESTERASE (SSO2295) FROM SULFOLOBUS SOLFATARICUS AT 1.91 A RESOLUTION
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL1-5 |
Synchrotron site | SSRL |
Beamline | BL1-5 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-01-21 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 2 2 21 |
Unit cell lengths | 53.690, 57.690, 194.480 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.840 - 1.910 |
R-factor | 0.219 |
Rwork | 0.217 |
R-free | 0.25900 |
Structure solution method | MAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.570 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.840 | 1.980 | |
High resolution limit [Å] | 1.910 | 3.260 | 1.910 |
Rmerge | 0.131 | 0.060 | 0.714 |
Number of reflections | 47208 | 8533 | 7558 |
<I/σ(I)> | 6.2 | 13 | 1.4 |
Completeness [%] | 89.8 | 93.6 | 81.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP, NANODROP | 8 | 277 | 28.0% PEG-400, 0.2M CaCl2, 0.1M TRIS, PH 8.0, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K |
2 | VAPOR DIFFUSION, SITTING DROP, NANODROP | 8 | 293 | 28.0% PEG-400, 0.2M CaCl2, 0.1M TRIS, PH 8.0, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 293K |