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 |
