3ILS
The Thioesterase Domain from PksA
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 | 2007-04-27 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9648, 0.98, 0.9802 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.934, 66.941, 67.925 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.700 |
Rwork | 0.178 |
R-free | 0.20800 |
Structure solution method | MAD |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.740 |
High resolution limit [Å] | 1.680 | 3.620 | 1.680 |
Rmerge | 0.057 | 0.037 | 0.330 |
Number of reflections | 35395 | ||
<I/σ(I)> | 13.2 | ||
Completeness [%] | 99.3 | 99.9 | 92.5 |
Redundancy | 6.9 | 6.8 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.6 | 298 | 0.2 M ammonium acetate, 0.1 M sodium citrate, 30% PEG 4K, pH 5.6, VAPOR DIFFUSION, temperature 298K |
1 | VAPOR DIFFUSION | 5.6 | 298 | 0.2 M ammonium acetate, 0.1 M sodium citrate, 30% PEG 4K, pH 5.6, VAPOR DIFFUSION, temperature 298K |