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) |