3DUS
Crystal structure of SAG506-01, orthorhombic, twinned, crystal 1
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 21 21 21 |
Unit cell lengths | 72.470, 72.560, 85.910 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.810 - 1.950 |
R-factor | 0.255 |
Rwork | 0.253 |
R-free | 0.28200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.560 |
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] | 19.810 | 19.810 | 2.020 |
High resolution limit [Å] | 1.950 | 4.190 | 1.950 |
Rmerge | 0.065 | 0.033 | 0.380 |
Total number of observations | 16468 | 15403 | |
Number of reflections | 33108 | ||
<I/σ(I)> | 11.7 | 33.4 | 3.6 |
Completeness [%] | 98.4 | 98.1 | 95.6 |
Redundancy | 4.9 | 4.57 | 4.85 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.5 | 298 | PEG 4000, MgCl2, pH 8.5, vapor diffusion, temperature 298K |