3SNV
Crystal structure of Symfoil-4T Permutation #1: de novo designed beta-trefoil architecture with symmetric primary structure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-12-19 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 |
Unit cell lengths | 56.667, 56.667, 81.102 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.226 - 2.200 |
R-factor | 0.2017 |
Rwork | 0.199 |
R-free | 0.25690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3o4b |
RMSD bond length | 0.003 |
RMSD bond angle | 0.571 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.260 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.331 | |
Number of reflections | 12051 | |
<I/σ(I)> | 4.64 | |
Completeness [%] | 92.0 | 57.9 |
Redundancy | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 1.9 M ammonium sulfate, 0.2 M lithium sulfate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |