4PNB
A de novo designed hexameric coiled coil CC-Hex3.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 90 |
Detector technology | PIXEL |
Collection date | 2014-02-09 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.98 |
Spacegroup name | I 21 3 |
Unit cell lengths | 89.210, 89.210, 89.210 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.600 - 2.052 |
R-factor | 0.2428 |
Rwork | 0.241 |
R-free | 0.27650 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.095 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.610 | 2.110 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.701 | |
Number of reflections | 7572 | |
<I/σ(I)> | 14.5 | 3.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.7 | 13 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 292 | 0.2 M ammonium sulfate, 0.1 M sodium acetate, 10 % w/v PEG 2000 MME. |