3RGG
Crystal structure of Treponema denticola PurE bound to AIR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 111 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-10-21 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 84.390, 155.130, 88.140 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.100 - 1.820 |
| R-factor | 0.18985 |
| Rwork | 0.188 |
| R-free | 0.22155 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Native coordinate |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.674 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.100 | 1.870 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Number of reflections | 51257 | |
| <I/σ(I)> | 20 | 2.2 |
| Completeness [%] | 98.6 | 92.3 |
| Redundancy | 6.4 | 5.1 |
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 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
