3RG8
Crystal structure of Treponema denticola PurE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 4.2.2 |
| Synchrotron site | ALS |
| Beamline | 4.2.2 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2006-09-09 |
| Detector | NOIR-1 |
| Wavelength(s) | 1.24 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.470, 87.920, 86.700 |
| Unit cell angles | 90.00, 118.30, 90.00 |
Refinement procedure
| Resolution | 19.630 - 1.740 |
| R-factor | 0.16678 |
| Rwork | 0.165 |
| R-free | 0.19974 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1o4v |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.547 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.700 | 1.790 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Number of reflections | 112698 | |
| <I/σ(I)> | 17.5 | 2.1 |
| Completeness [%] | 99.5 | 99.5 |
| Redundancy | 3.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 14-16% (W/V) PEG 1000, 0.1 M MAGNESIUM CHLORIDE, 0.1 M IMIDAZOLE, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
