5USV
Insulin with proline analog AzeP 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 | 77.979, 77.979, 77.979 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.835 - 1.300 |
R-factor | 0.1436 |
Rwork | 0.143 |
R-free | 0.15890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3t2a |
RMSD bond length | 0.009 |
RMSD bond angle | 1.978 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.990 | 38.990 | 1.330 |
High resolution limit [Å] | 1.170 | 6.190 | 1.300 |
Rmerge | 0.155 | 0.039 | |
Rmeas | 0.159 | 0.041 | |
Rpim | 0.037 | 0.009 | 1.216 |
Number of reflections | 26650 | 1288 | |
<I/σ(I)> | 13.2 | 1.2 | |
Completeness [%] | 99.4 | 99.7 | 100 |
Redundancy | 18.4 | 19.9 | 17.2 |
CC(1/2) | 1.000 | 1.000 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.75 | 293 | 238mM Sodium citrate, 100mM Hepes pH 7.75 |