5C5D
Crystal structure of Treponema denticola PurE2-S38D
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-11-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 84.084, 154.958, 89.130 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.565 - 1.690 |
| R-factor | 0.1563 |
| Rwork | 0.154 |
| R-free | 0.19000 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3rgg |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.290 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.730 |
| High resolution limit [Å] | 1.690 | 1.700 |
| Rmerge | 0.532 | |
| Number of reflections | 64883 | |
| <I/σ(I)> | 55.32 | 5.26 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 14.7 | 14.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 14-16% (w/v) PEG 1000, 0.1 M magnesium chloride, 0.1 M imidazole |
