6IYR
Crystal Structure of the acyltransferase domain from module 8 of the salinomycin polyketide synthase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-05-27 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97914 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 123.244, 123.244, 78.532 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.050 |
| R-factor | 0.20316 |
| Rwork | 0.201 |
| R-free | 0.24166 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hg4 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.516 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.090 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.087 | 0.660 |
| Number of reflections | 36404 | 2628 |
| <I/σ(I)> | 56.4 | 5.3 |
| Completeness [%] | 99.9 | 99.68 |
| Redundancy | 14.5 | 14.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.2 | 293 | 0.056M NaH2PO4, 1.544M K2HPO4 pH 8.2 |
