5USP
Insulin with proline analog Pip 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 | 78.047, 78.047, 78.047 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.020 - 1.174 |
R-factor | 0.1391 |
Rwork | 0.139 |
R-free | 0.15260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3t2a |
RMSD bond length | 0.008 |
RMSD bond angle | 1.070 |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.020 | 39.020 | 1.190 |
High resolution limit [Å] | 1.170 | 6.430 | 1.170 |
Rmerge | 0.063 | 0.056 | 0.756 |
Rmeas | 0.066 | 0.059 | 0.835 |
Rpim | 0.020 | 0.019 | 0.342 |
Number of reflections | 26487 | 1198 | |
<I/σ(I)> | 17.8 | 2 | |
Completeness [%] | 99.7 | 99.6 | 93.3 |
Redundancy | 10 | 10.5 | 5.4 |
CC(1/2) | 0.998 | 0.994 | 0.669 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 275mM Sodium Citrate, 100mM Hepes pH 8.0 |