6L3M
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 BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-04-23 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9792 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 214.299, 100.778, 103.267 |
| Unit cell angles | 90.00, 113.13, 90.00 |
Refinement procedure
| Resolution | 98.540 - 1.770 |
| R-factor | 0.1899 |
| Rwork | 0.189 |
| R-free | 0.21610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hg4 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.176 |
| 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] | 98.540 | 98.540 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.100 | 0.100 |
| Number of reflections | 186560 | 186560 |
| <I/σ(I)> | 3 | |
| Completeness [%] | 97.4 | |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 293 | 0.2M K2HPO4 (pH 6) , 7% PEG 3350 (W/V) |
