3LCR
Thioesterase from Tautomycetin Biosynthhetic Pathway
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-08-20 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97937,0.97956,0.96112 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.102, 80.183, 64.706 |
Unit cell angles | 90.00, 103.76, 90.00 |
Refinement procedure
Resolution | 36.300 - 2.000 |
R-factor | 0.189 |
Rwork | 0.187 |
R-free | 0.23300 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.172 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.059 | 0.511 |
Number of reflections | 36028 | |
<I/σ(I)> | 16.5 | 2.3 |
Completeness [%] | 99.0 | 94.1 |
Redundancy | 3.6 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 100-400 mM Ammonium Formate, 30% PEG 3350, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |