3GF2
Crystal structure of the hypothetical regulator ST1710 complexed with sodium salicylate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-D |
| Temperature [K] | 180 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-10-14 |
| Detector | RIGAKU RAXIS VII |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 46.135, 46.135, 137.640 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.760 - 1.800 |
| R-factor | 0.233 |
| Rwork | 0.233 |
| R-free | 0.26500 |
| Starting model (for MR) | 2eb7 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.000 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 13381 | |
| Completeness [%] | 91.3 | 99.8 |
| Redundancy | 13.4 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 18% PEG 8000, 0.2M Calcium acetate, 0.1M Sodium Cacodylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
