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 |
