7O0T
Crystal structure of Chloroflexus aggregans ene-reductase CaOYE holoenzyme
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 | 2018-06-06 |
Detector | DECTRIS PILATUS3 X 2M |
Wavelength(s) | 0.97 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 108.194, 162.274, 216.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.010 - 2.400 |
R-factor | 0.2219 |
Rwork | 0.220 |
R-free | 0.26310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5nux |
RMSD bond length | 0.007 |
RMSD bond angle | 1.475 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.010 | 2.610 |
High resolution limit [Å] | 2.400 | 2.400 |
Number of reflections | 73908 | 4571 |
<I/σ(I)> | 4.9 | 1.8 |
Completeness [%] | 99.3 | 100 |
Redundancy | 4.6 | 5 |
CC(1/2) | 0.969 | 0.740 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 100 mM HEPES pH 7.0, 1.1 M sodium malonate dibasic monohydrate, 0.5% v/v Jeffamine |