6TC2
Monoclinic human insulin in complex with p-coumaric acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.000, 67.650, 47.590 |
Unit cell angles | 90.00, 94.80, 90.00 |
Refinement procedure
Resolution | 47.423 - 1.360 |
Rwork | 0.160 |
R-free | 0.18770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ev6 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.7-3644) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.423 | 47.423 | 1.420 |
High resolution limit [Å] | 1.360 | 4.240 | 1.360 |
Rmerge | 0.032 | 1.889 | |
Rmeas | 0.063 | 0.033 | 2.012 |
Number of reflections | 54569 | 1885 | 5908 |
<I/σ(I)> | 18.08 | 66.06 | 0.95 |
Completeness [%] | 98.2 | 99.4 | 87.7 |
Redundancy | 12.727 | 13.368 | 8.309 |
CC(1/2) | 1.000 | 1.000 | 0.367 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 5.82 | 298 | 12.78 mg/mL insulin, 0.77 mM zinc acetate, 40 mM p-coumaric acid, 3.2%(w/v) PEG-1000, 10 mM sodium thiocyanate, 0.4 M phosphate mixture (Na2HPO4, KH2PO4), pH = 5.82 |