3WZH
Crystal structure of AfCsx3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-05-08 |
Detector | RIGAKU RAXIS HTC |
Wavelength(s) | 1.5418 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 86.726, 86.726, 112.529 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 22.880 - 3.310 |
R-factor | 0.22242 |
Rwork | 0.221 |
R-free | 0.25732 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.015 |
RMSD bond angle | 1.799 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHARP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.400 |
High resolution limit [Å] | 3.300 | 3.300 |
Number of reflections | 7155 | |
Completeness [%] | 97.8 | 98.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 293 | Citrate, Phosphate, Ammonium Sulphate, pH 4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |