4GGP
Crystal Structure of Selenomethionine containing Trans-2-Enoyl-CoA Reductase from Treponema denticola
Experimental procedure
| Experimental method | MAD |
| 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 | 2011-10-27 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979, 0.957 |
| Spacegroup name | P 1 |
| Unit cell lengths | 62.580, 87.680, 91.990 |
| Unit cell angles | 106.25, 109.85, 98.33 |
Refinement procedure
| Resolution | 19.470 - 2.050 |
| R-factor | 0.1838 |
| Rwork | 0.182 |
| R-free | 0.21450 |
| Structure solution method | MAD |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.783 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX (AUTOSOL) |
| Refinement software | PHENIX (AutoRefine) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.120 |
| High resolution limit [Å] | 2.000 | 2.050 |
| Rmerge | 0.150 | 0.599 |
| Number of reflections | 114220 | |
| <I/σ(I)> | 20.67 | 4.38 |
| Completeness [%] | 97.1 | 96.1 |
| Redundancy | 3.8 | 3.9 |
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 |
