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 |
