4RL1
Structural and functional analysis of a loading acyltransferase from the avermectin modular polyketide synthase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2014-05-01 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97891 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.210, 74.290, 82.420 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.20968 |
| Rwork | 0.208 |
| R-free | 0.24155 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hg4 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.391 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER (MR) |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 31.000 | 2.110 |
| High resolution limit [Å] | 2.000 | 6.000 | 2.000 |
| Rmerge | 0.073 | 0.056 | 0.209 |
| Number of reflections | 20108 | ||
| <I/σ(I)> | 14.3 | 22.5 | 8.1 |
| Completeness [%] | 99.4 | 90 | 99.9 |
| Redundancy | 4.3 | 4.1 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.75 | 293 | 3.4 M sodium formate, pH 6.75, VAPOR DIFFUSION, temperature 293K |
