2DQ3
Crystal structure of aq_298
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-10 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1 |
| Spacegroup name | P 41 |
| Unit cell lengths | 119.057, 119.057, 80.660 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.440 - 3.000 |
| R-factor | 0.219 |
| Rwork | 0.219 |
| R-free | 0.29700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1set |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.600 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.073 | 0.456 |
| Number of reflections | 22512 | |
| <I/σ(I)> | 26.7 | 2.2 |
| Completeness [%] | 98.7 | 88.7 |
| Redundancy | 7.2 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 277 | 5% PEG 4000, 0.1M sodium acetate, 20mM Tris-HCl, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
