3S0R
Crystal Structure of De novo Designed helical assembly protein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-05-21 |
Detector | MAR scanner 300 mm plate |
Spacegroup name | I 41 |
Unit cell lengths | 45.529, 45.529, 93.293 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.888 - 2.453 |
R-factor | 0.2529 |
Rwork | 0.247 |
R-free | 0.27520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 30-residue polyalanine alpha helix |
RMSD bond length | 0.007 |
RMSD bond angle | 1.155 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 18.888 | 2.570 |
High resolution limit [Å] | 2.440 | 2.440 |
Rmerge | 0.067 | 0.168 |
Number of reflections | 3479 | |
<I/σ(I)> | 20.5 | 10.8 |
Completeness [%] | 89.5 | 81.8 |
Redundancy | 7.4 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | The 2 uL drop consisted of a 1:1 v/v mixture of 5 mg/mL protein solution (in 20 mM sodium phosphate, pH 7.5, 100 mM NaCl) and reservoir solution (75 mM HEPES sodium, pH 7.5, 0.6 M sodium phosphate monobasic monohydrate, 0.6 M potassium phosphate monobasic, 25% v/v glycerol) , VAPOR DIFFUSION, HANGING DROP, temperature 291K |