7BOA
A hexameric de novo coiled-coil assembly: CC-Type2-(YaFd)4-W19(BrPhe).
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2019-08-04 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.91991 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.707, 75.608, 88.123 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.450 - 1.650 |
R-factor | 0.2224 |
Rwork | 0.221 |
R-free | 0.25400 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.331 |
Data reduction software | DIALS (1.14.9-g0c59d74b8-release) |
Data scaling software | Aimless (0.7.4) |
Phasing software | CRANK2 |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 75.570 | 75.570 | 1.690 |
High resolution limit [Å] | 1.650 | 7.380 | 1.650 |
Rmerge | 0.125 | 0.048 | 1.968 |
Rmeas | 0.130 | 0.050 | 2.040 |
Rpim | 0.036 | 0.015 | 0.548 |
Number of reflections | 33544 | 457 | 2442 |
<I/σ(I)> | 8.7 | 21.5 | 1.1 |
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 13.1 | 11.1 | 13.6 |
CC(1/2) | 1.000 | 1.000 | 0.792 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 292 | After 1:1 dilution with the peptide solution, the resulting conditions were 0.1 M Ammonium sulphate, 0.05 M Sodium acetate and 5% w/v PEG 2000 monomethyl ether. |