2HX5
Crystal structure of a putative thioesterase (pmt_2055) from prochlorococcus marinus str. mit 9313 at 1.50 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-06-17 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | I 2 3 |
Unit cell lengths | 104.220, 104.220, 104.220 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.853 - 1.500 |
Rwork | 0.155 |
R-free | 0.18200 |
Structure solution method | SAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.728 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.853 | 1.550 | |
High resolution limit [Å] | 1.500 | 2.560 | 1.500 |
Rmerge | 0.073 | 0.070 | 0.740 |
Number of reflections | 30132 | ||
<I/σ(I)> | 11.55 | 22.5 | 1.9 |
Completeness [%] | 95.3 | 99.8 | 82.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION,SITTING DROP,NANODROP | 6.5 | 277 | 35.0% 2-ethoxyethanol, 0.1M Cacodylate pH 6.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K |