3PG0
Crystal structure of designed 3-fold symmetric protein, ThreeFoil
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-03-22 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 45.012, 45.012, 113.439 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.258 - 1.620 |
R-factor | 0.1673 |
Rwork | 0.166 |
R-free | 0.18430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1knm |
RMSD bond length | 0.006 |
RMSD bond angle | 1.074 |
Data reduction software | d*TREK |
Data scaling software | d*TREK (9.9.8.6D) |
Phasing software | BALBES |
Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.260 | 35.260 | 1.680 |
High resolution limit [Å] | 1.620 | 3.490 | 1.620 |
Rmerge | 0.068 | 0.038 | 0.363 |
Number of reflections | 15533 | ||
<I/σ(I)> | 13.7 | 32.8 | 3.5 |
Completeness [%] | 99.5 | 99.9 | 96 |
Redundancy | 6.25 | 6.18 | 4.29 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 2.0 M ammonium sulfate, 0.1 M bis-tris, protein concentration = 7 mg/mL, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |