6Z2I
Crystal structure of DeNovoTIM6, a de novo designed TIM barrel
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-01-31 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.91 |
Spacegroup name | P 4 |
Unit cell lengths | 87.480, 87.480, 44.263 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.929 - 2.901 |
R-factor | 0.3221 |
Rwork | 0.317 |
R-free | 0.37200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Rosetta backbone model |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | PHENIX (1.15_3459) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.930 | 3.010 |
High resolution limit [Å] | 2.901 | 2.901 |
Rmerge | 0.180 | 1.195 |
Number of reflections | 7620 | 389 |
<I/σ(I)> | 4.3 | 1 |
Completeness [%] | 99.8 | 100 |
Redundancy | 7.4 | 7.8 |
CC(1/2) | 0.940 | 0.773 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293.15 | 0.095 M Sodium citrate pH: 5.0, 19% v/v Isopropanol, 25% w/v PEG 4000, 5% v/v Glycerol |