3Q7Y
Crystal structure of K15R/E18D/Y22W/H41G/F44W/E51D/E53P/K57R/E60D/Y64W/H82G/F85W/E90D/E94P/K98R/E101D/Y108W/H129G/F132W/E137D Symfoil-4P: de novo designed beta-trefoil architecture with symmetric primary structure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-09-30 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.485, 42.614, 66.852 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.998 - 1.450 |
R-factor | 0.1942 |
Rwork | 0.193 |
R-free | 0.22210 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.939 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.480 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.073 | 0.260 |
Number of reflections | 18067 | |
<I/σ(I)> | 49.1 | 3.7 |
Completeness [%] | 87.7 | 98.1 |
Redundancy | 6.7 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 298 | 1.8M ammonium sulfate, 0.1M sodium acetate, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |