5UU2
Insulin with proline analog ThioP 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 | 2016-12-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | I 21 3 |
Unit cell lengths | 78.067, 78.067, 78.067 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.871 - 1.223 |
R-factor | 0.1387 |
Rwork | 0.138 |
R-free | 0.15580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3t2a |
RMSD bond length | 0.017 |
RMSD bond angle | 1.530 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.27) |
Phasing software | PHASER (2.7.16) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 31.871 | 31.870 | 1.250 |
High resolution limit [Å] | 1.220 | 6.700 | 1.220 |
Rmerge | 0.044 | 0.058 | 0.510 |
Rmeas | 0.046 | 0.063 | 0.572 |
Rpim | 0.016 | 0.023 | 0.251 |
Number of reflections | 23424 | 1064 | |
<I/σ(I)> | 23.5 | 3.4 | |
Completeness [%] | 99.6 | 99.4 | 91.5 |
Redundancy | 8.1 | 8.4 | 4.5 |
CC(1/2) | 0.999 | 0.996 | 0.825 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 238mM Sodium Citrate, 100mM Hepes pH 8.5 |