3Q6E
Human insulin in complex with cucurbit[7]uril
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-28 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97947 |
Spacegroup name | I 41 3 2 |
Unit cell lengths | 116.534, 116.534, 116.534 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.470 - 2.050 |
R-factor | 0.211 |
Rwork | 0.206 |
R-free | 0.25300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mso |
RMSD bond length | 0.007 |
RMSD bond angle | 1.078 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE: 1.5_2)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.120 |
High resolution limit [Å] | 2.050 | 2.050 |
Number of reflections | 8778 | |
<I/σ(I)> | 35.7 | 5.5 |
Completeness [%] | 99.9 | 100 |
Redundancy | 11.6 | 11.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7 | 298 | 40 uM Q7, 40 uM insulin, 10 mM sodium phosphate, 4 mM EDTA, 1 mM lysine, EVAPORATION, temperature 298K, pH 7.0 |