3SO8
Crystal Structure of ANKRA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ DW |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-01-04 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.147, 40.776, 99.061 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.530 - 1.900 |
| R-factor | 0.21971 |
| Rwork | 0.218 |
| R-free | 0.25534 |
| Structure solution method | SAD |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.827 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.900 |
| Number of reflections | 13040 |
| Completeness [%] | 99.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 300 | Peg 3350, pH 6, VAPOR DIFFUSION, SITTING DROP, temperature 300K |
