5HPR
Insulin with proline analog HyP 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 | 2015-06-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | I 21 3 |
Unit cell lengths | 78.245, 78.245, 78.245 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.330 - 1.330 |
R-factor | 0.12651 |
Rwork | 0.125 |
R-free | 0.16383 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3t2a |
RMSD bond length | 0.034 |
RMSD bond angle | 1.386 |
Data reduction software | XDS |
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] | 55.330 | 39.120 | 1.360 |
High resolution limit [Å] | 1.330 | 7.180 | 1.330 |
Rmerge | 0.054 | 0.040 | 0.276 |
Number of reflections | 18244 | ||
<I/σ(I)> | 17.4 | 31.2 | 4 |
Completeness [%] | 99.4 | 99 | 88.8 |
Redundancy | 5.9 | 5.9 | 3.3 |
CC(1/2) | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | 300 mM Tris, 0.5 mM zinc acetate, 8.5% acetone, 0.5 M sodium citrate |