6J0U
Crystal Structure of the acyltransferase domain from the third module of the ansamitocin polyketide synthase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-03-17 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9792 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 214.728, 100.303, 103.409 |
| Unit cell angles | 90.00, 113.07, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.790 |
| R-factor | 0.1888 |
| Rwork | 0.187 |
| R-free | 0.21863 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hg4 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.179 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.840 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Number of reflections | 176984 | |
| <I/σ(I)> | 22 | |
| Completeness [%] | 98.6 | |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.2 | 293 | 0.2M K2HPO4 pH 6, 7% PEG 3350 |
