7BAS
A de novo pentameric coiled-coil assembly: CC-Type2-(TgLaId)4-W19BrPhe.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | DIAMOND |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-07 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9999 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 43.560, 54.647, 57.528 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.650 - 1.100 |
R-factor | 0.1826 |
Rwork | 0.181 |
R-free | 0.21180 |
Structure solution method | SAD |
RMSD bond length | 0.014 |
RMSD bond angle | 1.705 |
Data reduction software | Aimless |
Data scaling software | Aimless (0.7.4) |
Phasing software | SHELXCD |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 57.690 | 57.690 | 1.310 |
High resolution limit [Å] | 1.100 | 7.070 | 1.290 |
Rmerge | 0.669 | 0.093 | |
Rmeas | 0.707 | 0.097 | 44.332 |
Rpim | 0.204 | 0.026 | 17.335 |
Number of reflections | 53567 | 272 | 1669 |
<I/σ(I)> | 8.1 | ||
Completeness [%] | 99.2 | 99.9 | 95.6 |
Redundancy | 19.6 | 16.1 | 14 |
CC(1/2) | 0.553 | 0.999 | 0.269 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 293 | 0.6 mM peptide, 50 mM MES, 5 % w/v PEG 5000 MME, 6 % v/v 1-propanol. |