5URT
Insulin with proline analog DhP 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 | 2016-07-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | I 21 3 |
Unit cell lengths | 77.955, 77.955, 77.955 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.120 - 1.180 |
R-factor | 0.1205 |
Rwork | 0.119 |
R-free | 0.14190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3t2a |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER (2.5.6) |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 55.120 | 38.980 | 1.190 |
High resolution limit [Å] | 1.170 | 6.210 | 1.170 |
Rmerge | 0.089 | 0.116 | 1.691 |
Rmeas | 0.091 | 0.120 | 1.780 |
Rpim | 0.021 | 0.028 | 0.536 |
Number of reflections | 26449 | 1328 | |
<I/σ(I)> | 18.1 | 1.3 | |
Completeness [%] | 99.7 | 99.7 | 94.6 |
Redundancy | 18.6 | 19.8 | 10.3 |
CC(1/2) | 0.999 | 0.999 | 0.419 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.75 | 293 | 200mM Sodium Citrate, 100mM Hepes pH 7.75 |