5URU
Insulin with proline analog DhP 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 | 2016-07-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | H 3 |
Unit cell lengths | 79.259, 79.259, 79.874 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 52.060 - 2.410 |
R-factor | 0.1902 |
Rwork | 0.187 |
R-free | 0.24620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ev6 |
RMSD bond length | 0.022 |
RMSD bond angle | 2.035 |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER (2.5.6) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 52.060 | 34.520 | 1.710 |
High resolution limit [Å] | 1.680 | 9.020 | 1.680 |
Rmerge | 0.087 | 0.043 | 1.260 |
Rmeas | 0.097 | 0.047 | 1.782 |
Rpim | 0.042 | 0.020 | 1.260 |
Total number of observations | 82670 | 798 | 54 |
Number of reflections | 18094 | ||
<I/σ(I)> | 5.4 | 22.4 | |
Completeness [%] | 84.1 | 98.3 | 4.5 |
Redundancy | 4.6 | 5.8 | 1.1 |
CC(1/2) | 0.998 | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 300mM Tris pH 8, 17mM Zinc Acetate, 1% Phenol, 313mM Sodium Citrate, 11.25% Acetone |