5HQI
Insulin with proline analog HzP at position B28 in the T2 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 | 2015-05-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.82650 |
Spacegroup name | I 21 3 |
Unit cell lengths | 78.234, 78.234, 78.234 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.120 - 0.970 |
R-factor | 0.14027 |
Rwork | 0.139 |
R-free | 0.15774 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3t2a |
RMSD bond length | 0.026 |
RMSD bond angle | 1.584 |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.120 | 39.120 | 0.990 |
High resolution limit [Å] | 0.970 | 5.310 | 0.970 |
Rmerge | 0.051 | 0.019 | 2.563 |
Rpim | 0.026 | 0.010 | 1.732 |
Total number of observations | 221969 | 1657 | 5506 |
Number of reflections | 46800 | ||
<I/σ(I)> | 13.2 | 76.5 | 0.4 |
Completeness [%] | 99.4 | 98.4 | 88.2 |
Redundancy | 4.7 | 5.2 | 2.7 |
CC(1/2) | 0.999 | 0.999 | 0.128 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.25 | 295 | 462.5 mM sodium citrate, 100 mM HEPES |