5HRQ
Insulin with proline analog HzP 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 | 2015-06-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.156, 60.680, 60.665 |
Unit cell angles | 90.00, 110.82, 90.00 |
Refinement procedure
Resolution | 56.700 - 1.280 |
R-factor | 0.13672 |
Rwork | 0.135 |
R-free | 0.16843 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.259 |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER (2.5.6) |
Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 56.700 | 35.660 | 1.300 |
High resolution limit [Å] | 1.280 | 6.880 | 1.280 |
Rmerge | 0.042 | 0.039 | 0.451 |
Rpim | 0.028 | 0.026 | 0.359 |
Total number of observations | 239532 | 1824 | 5692 |
Number of reflections | 79335 | ||
<I/σ(I)> | 13.6 | 33 | 2.1 |
Completeness [%] | 96.0 | 99.1 | 62.1 |
Redundancy | 3 | 3.3 | 2.2 |
CC(1/2) | 0.997 | 0.989 | 0.678 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | 300 mM Tris, 17 mM zinc acetate, 1% phenol, 7.5% acetone, 2.675 M sodium citrate |