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 |
