5T7R
A6-A11 trans-dicarba human insulin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-09-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 3 |
Unit cell lengths | 77.280, 77.280, 77.280 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.320 - 1.550 |
R-factor | 0.1947 |
Rwork | 0.194 |
R-free | 0.21740 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.730 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10pre-2104_1692: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.600 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.144 | 5.030 |
Number of reflections | 22449 | |
<I/σ(I)> | 11.7 | 0.38 |
Completeness [%] | 99.9 | 100 |
Redundancy | 10.8 | 10.4 |
CC(1/2) | 0.999 | 0.110 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 300 | 0.9 M potassium sodium tartrate, 0.1 M Tris HCl pH 8.5, 0.5% PEG 5000 MME |