7NHU
Crystal structure of desB30 insulin produced by cell free protein synthesis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-X |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-08-06 |
Detector | DECTRIS EIGER X 1M |
Wavelength(s) | 1.54184 |
Spacegroup name | I 21 3 |
Unit cell lengths | 77.939, 77.939, 77.939 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.970 - 1.400 |
R-factor | 0.1593 |
Rwork | 0.159 |
R-free | 0.17120 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6s34 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.062 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.18_3845) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.970 | 1.452 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.069 | 0.738 |
Rmeas | 0.070 | 0.819 |
Rpim | 0.012 | 0.338 |
Number of reflections | 15199 | 5656 |
<I/σ(I)> | 53.42 | |
Completeness [%] | 97.1 | 72.72 |
Redundancy | 28.9 | 4.9 |
CC(1/2) | 0.999 | 0.657 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M sodium formate, 20 % (w/v) PEG 3350 |