4FBG
Crystal structure of Treponema denticola trans-2-enoyl-CoA reductase in complex with NAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-09-12 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 |
| Unit cell lengths | 100.794, 120.032, 171.288 |
| Unit cell angles | 90.80, 104.96, 112.75 |
Refinement procedure
| Resolution | 50.000 - 3.020 |
| R-factor | 0.2383 |
| Rwork | 0.235 |
| R-free | 0.29160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4euf |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.065 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.144 | 0.658 |
| Number of reflections | 132147 | |
| <I/σ(I)> | 13.7 | 2.4 |
| Completeness [%] | 95.5 | 95.8 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 289 | 0.1M Bis-Tris, 22% PEG 3350, 10uM sacrosine, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
