4QKR
Crystal Structure of 6xTyr/PV2: de novo designed beta-trefoil architecture with symmetric primary structure (L22Y/L44Y/L64Y/L85Y/L108Y/L132Y, Primitive Version 2)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-05-20 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.541 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 34.763, 46.792, 67.648 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.824 - 1.746 |
R-factor | 0.188 |
Rwork | 0.187 |
R-free | 0.21550 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.101 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 40.000 | 1.810 |
High resolution limit [Å] | 1.746 | 3.770 | 1.750 |
Rmerge | 0.052 | 0.037 | 0.311 |
Number of reflections | 11690 | ||
<I/σ(I)> | 18.1 | ||
Completeness [%] | 99.6 | 99.8 | 98.3 |
Redundancy | 7.3 | 7.1 | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 30% PEG 8,000, 0.1 M Imidazole HCl, 0.2 M NaCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |