4GGO
Crystal Structure of Trans-2-Enoyl-CoA Reductase from Treponema denticola
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-11-13 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 1 |
Unit cell lengths | 62.050, 87.050, 91.460 |
Unit cell angles | 106.14, 109.72, 98.52 |
Refinement procedure
Resolution | 19.680 - 2.000 |
R-factor | 0.2077 |
Rwork | 0.206 |
R-free | 0.23470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ggp |
RMSD bond length | 0.003 |
RMSD bond angle | 0.661 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (AutoRefine) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.135 | 0.699 |
Number of reflections | 105852 | |
<I/σ(I)> | 15.61 | 2.6 |
Completeness [%] | 94.0 | 88.2 |
Redundancy | 2.1 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 291 | 0.1 M sodium citrate, pH 7.5, 25% PEG 6000, 2.5% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 291K |