5UU4
Insulin with proline analog ThioP at position B28 in the R6 state
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | H 3 |
Unit cell lengths | 78.093, 78.093, 39.933 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.386 - 1.973 |
R-factor | 0.2339 |
Rwork | 0.232 |
R-free | 0.26440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ev6 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.800 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.29) |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.050 | 39.050 | 2.010 |
High resolution limit [Å] | 1.960 | 8.980 | 1.960 |
Rmerge | 0.038 | 0.026 | 2.215 |
Rmeas | 0.042 | 0.029 | 2.592 |
Rpim | 0.018 | 0.013 | 1.299 |
Number of reflections | 6396 | ||
<I/σ(I)> | 19.4 | ||
Completeness [%] | 98.1 | 99.5 | 76.3 |
Redundancy | 5.5 | 5.3 | 3.6 |
CC(1/2) | 0.999 | 0.999 | 0.320 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 300mM Tris pH 8, 17mM Zinc Acetate, 1% Phenol, 275mM Sodium Citrate, 9.38% Acetone |