7CB3
Crystal structure of type III polyketide synthase from Mycobacterium marinum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-02-22 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.95372 |
| Spacegroup name | H 3 |
| Unit cell lengths | 131.407, 131.407, 187.187 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 72.287 - 2.310 |
| R-factor | 0.19896 |
| Rwork | 0.198 |
| R-free | 0.21743 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ted |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.524 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.287 | 2.487 |
| High resolution limit [Å] | 2.306 | 2.306 |
| Rmerge | 0.058 | 0.560 |
| Rmeas | 0.064 | 0.747 |
| Rpim | 0.027 | 0.487 |
| Number of reflections | 28212 | 1411 |
| <I/σ(I)> | 17.9 | 1.4 |
| Completeness [%] | 90.4 | 68 |
| Redundancy | 5.4 | 2.3 |
| CC(1/2) | 0.999 | 0.576 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 20% (w/v) Polyethylene glycol 3000 and 100 mM HEPES pH 7.5 |
