6Q4S
Crystal structure of a-eudesmol synthase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-09-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.987 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 103.140, 103.140, 139.665 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.380 - 1.830 |
R-factor | 0.1991 |
Rwork | 0.197 |
R-free | 0.24120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ps1 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.779 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.380 | 1.900 |
High resolution limit [Å] | 1.830 | 1.830 |
Rmerge | 0.064 | 1.962 |
Number of reflections | 38890 | 3646 |
<I/σ(I)> | 18 | 1.2 |
Completeness [%] | 99.5 | 97.5 |
Redundancy | 10.4 | 10.8 |
CC(1/2) | 1.000 | 0.586 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293.15 | 0.2 M MgCl2, 10% (v/v) propan-2-ol, 0.1 M HEPES pH 7.5 |