6OVU
Coiled-coil Trimer with Glu:3,4-difluorophenylalanine:Lys Triad
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR591 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-08-25 |
Detector | APEX II CCD |
Wavelength(s) | 1.5406 |
Spacegroup name | H 3 |
Unit cell lengths | 39.286, 39.286, 98.710 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 16.450 - 2.101 |
R-factor | 0.1974 |
Rwork | 0.191 |
R-free | 0.25830 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.791 |
Data reduction software | PROTEUM PLUS |
Data scaling software | PROTEUM PLUS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 16.450 | 2.176 |
High resolution limit [Å] | 2.101 | 2.101 |
Rmerge | 0.152 | 0.387 |
Rmeas | 0.168 | 0.483 |
Rpim | 0.680 | 0.282 |
Number of reflections | 3316 | 334 |
<I/σ(I)> | 17.1 | 2 |
Completeness [%] | 99.6 | 99.4 |
Redundancy | 4.6 | 2.4 |
CC(1/2) | 0.966 | 0.720 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 40% PEG300, 100 mM sodium cacodylate/HCl, pH 6.5, 200 mM calcium acetate |