6VEH
Computationally designed C3-symmetric homotrimer from HEAT repeat protein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-02-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.977408 |
Spacegroup name | H 3 |
Unit cell lengths | 88.182, 88.182, 65.244 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.091 - 2.303 |
R-factor | 0.2045 |
Rwork | 0.202 |
R-free | 0.22610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Computational design model |
Data reduction software | HKL-2000 (714n) |
Data scaling software | HKL-2000 (714n) |
Phasing software | PHASER (2.8.2) |
Refinement software | PHENIX (dev_3112) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.000 | 100.000 | 2.340 |
High resolution limit [Å] | 2.300 | 6.240 | 2.300 |
Rmerge | 0.119 | 0.033 | 1.198 |
Rmeas | 0.131 | 0.036 | 1.341 |
Rpim | 0.055 | 0.015 | 0.598 |
Total number of observations | 46905 | ||
Number of reflections | 8361 | 419 | 388 |
<I/σ(I)> | 6.2 | ||
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 5.6 | 5.8 | 5 |
CC(1/2) | 0.999 | 0.619 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 1mM DL-glutamic acid monohydrate, 100mM DL-alanine, 100mM glycine, 100mM DL-lysine monohydrochloride, 100mM DL-serine, 100mM Tris (base), 100mM BICINE, 20% (v/v) ethylene glycol, 10 % (w/v) PEG 8000, pH8.5 |