5BYO
Computationally designed left-handed alpha/alpha toroid with 12 repeats
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-04-14 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 95.414, 119.365, 76.339 |
Unit cell angles | 90.00, 110.93, 90.00 |
Refinement procedure
Resolution | 30.618 - 2.503 |
R-factor | 0.2172 |
Rwork | 0.214 |
R-free | 0.25350 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.484 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (1.9_1692) |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.540 |
High resolution limit [Å] | 2.500 | 6.780 | 2.500 |
Rmerge | 0.048 | 0.021 | 0.298 |
Rmeas | 0.056 | 0.024 | 0.368 |
Rpim | 0.029 | 0.013 | 0.211 |
Total number of observations | 100550 | ||
Number of reflections | 27183 | ||
<I/σ(I)> | 14.4 | ||
Completeness [%] | 98.9 | 98.9 | 87.6 |
Redundancy | 3.7 | 3.7 | 3 |
CC(1/2) | 0.999 | 0.900 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.9 M Sodium malonate pH 7.0, 0.1 M HEPES pH 7.0, 0.5% Jeffamine ED-2001 pH 7.0 |