5ENA
Xray crystal structure of isotope-labeled human insulin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-10-23 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.98 |
Spacegroup name | I 21 3 |
Unit cell lengths | 77.935, 77.935, 77.935 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.554 - 1.350 |
R-factor | 0.1505 |
Rwork | 0.149 |
R-free | 0.16390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1b2a |
RMSD bond length | 0.015 |
RMSD bond angle | 1.454 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.370 |
High resolution limit [Å] | 1.350 | 3.660 | 1.350 |
Rmerge | 0.069 | 0.070 | 0.715 |
Rmeas | 0.071 | 0.073 | 0.734 |
Rpim | 0.016 | 0.017 | 0.164 |
Total number of observations | 342077 | ||
Number of reflections | 17473 | ||
<I/σ(I)> | 59.3 | 3.8 | |
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 19.6 | 18 | 20 |
CC(1/2) | 0.997 | 0.944 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | 0.1 M HEPES, 0.2 M sodium citrate tribasic dihydrate, 11% MPD |