6L3N
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 | 213.803, 100.094, 103.152 |
| Unit cell angles | 90.00, 113.40, 90.00 |
Refinement procedure
| Resolution | 98.110 - 1.830 |
| R-factor | 0.1908 |
| Rwork | 0.190 |
| R-free | 0.21320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hg4 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.085 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 98.110 | 50.000 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.100 | 0.100 |
| Number of reflections | 166143 | 25349 |
| <I/σ(I)> | 3 | |
| Completeness [%] | 97.9 | |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 293 | 0.2M K2HPO4 (pH 6), 7% PEG 3350 (W/V) |
