3DV6
Crystal structure of SAG506-01, tetragonal, crystal 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-002 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 71.420, 71.420, 85.080 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.948 - 1.950 |
| R-factor | 0.233 |
| Rwork | 0.229 |
| R-free | 0.30300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.029 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 1.860 |
| High resolution limit [Å] | 1.790 | 3.860 | 1.790 |
| Rmerge | 0.072 | 0.035 | 0.373 |
| Total number of observations | 19874 | 16906 | |
| Number of reflections | 21349 | ||
| <I/σ(I)> | 15.7 | 46.5 | 5.7 |
| Completeness [%] | 99.7 | 100 | 96.7 |
| Redundancy | 8.88 | 8.5 | 8.36 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 298 | PEG 4000, MgCl2, pH 8.5, vapor diffusion, temperature 298K |
