6GGI
Crystal structure of CotB2 in complex with 2-fluoro-3,7,18-dolabellatriene
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-10-01 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.9184 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.885, 98.722, 105.862 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.737 - 1.803 |
R-factor | 0.1706 |
Rwork | 0.170 |
R-free | 0.19950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4omg |
RMSD bond length | 0.012 |
RMSD bond angle | 1.291 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.740 | 1.870 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmeas | 0.114 | 1.146 |
Number of reflections | 61262 | 9672 |
<I/σ(I)> | 14.4 | 1.9 |
Completeness [%] | 99.6 | 98.8 |
Redundancy | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 30% (v/v) polyethylene glycol 400, 100 mM HEPES at pH 7.5 and 200 mM MgCl2 |