3P6J
Crystal structure of Symfoil-4T Permutation #3: 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 | 2010-08-23 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.07500 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.860, 57.698, 61.412 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.375 - 1.350 |
R-factor | 0.1473 |
Rwork | 0.146 |
R-free | 0.16610 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.109 |
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 | 1.370 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.036 | 0.372 |
Number of reflections | 33256 | |
<I/σ(I)> | 61.7 | 6.3 |
Completeness [%] | 91.9 | 94.1 |
Redundancy | 12 | 11.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 1.0M sodium citrate, 0.1M sodium cacodylate, 10mg/mL protein concentration, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |