8CUF
Synthetic epi-Novo29 (2R,3S), X-ray diffractometer structure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 123.15 |
Detector technology | PIXEL |
Collection date | 2022-03-07 |
Detector | RIGAKU HyPix-6000HE |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 12.103, 31.555, 36.961 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.000 - 1.680 |
R-factor | 0.1532 |
Rwork | 0.152 |
R-free | 0.16750 |
Structure solution method | SAD |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.000 | 1.740 |
High resolution limit [Å] | 1.680 | 1.680 |
Number of reflections | 2869 | 111 |
<I/σ(I)> | 36.1 | |
Completeness [%] | 95.6 | |
Redundancy | 13.1 | |
CC(1/2) | 0.869 | 0.822 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 296.15 | 2.8 M sodium acetate trihydrate, pH 6.6 |