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 |
