3U0A
Crystal structure of an Acyl-CoA thioesterase II TesB2 from Mycobacterium marinum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-24 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97740 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 102.130, 138.160, 81.180 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.910 - 2.500 |
| R-factor | 0.241 |
| Rwork | 0.238 |
| R-free | 0.29000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1c8u |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.531 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.560 | |
| High resolution limit [Å] | 2.500 | 11.180 | 2.500 |
| Rmerge | 0.081 | 0.024 | 0.456 |
| Number of reflections | 20168 | 210 | 1493 |
| <I/σ(I)> | 20.29 | 53.9 | 4.2 |
| Completeness [%] | 99.5 | 77.5 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | MymaA.00458.a at 47 mg/ml, 1% PEG 3350, 1000 mM ammonium sulfate, 25% PEG 3350 cryo, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
