6O35
Crystal structure of a de novo designed octameric helical-bundle protein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-08-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.00002 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 59.440, 103.684, 72.980 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.444 - 2.400 |
R-factor | 0.2634 |
Rwork | 0.261 |
R-free | 0.29840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Computational model |
RMSD bond length | 0.002 |
RMSD bond angle | 0.365 |
Data reduction software | XDS (Jan 26, 2018) |
Data scaling software | XDS (Jan 26, 2018) |
Phasing software | PHASER (2.8.2.) |
Refinement software | PHENIX ((dev_3112: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.444 | 2.486 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.192 | 1.698 |
Rmeas | 0.208 | 1.823 |
Rpim | 0.079 | 0.682 |
Number of reflections | 18231 | 1791 |
<I/σ(I)> | 8.28 | 1.43 |
Completeness [%] | 99.6 | 99.44 |
Redundancy | 7 | 7.2 |
CC(1/2) | 0.998 | 0.804 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 290 | 0.3 M Magnesium formate dihydrate 0.1 M BIS-Tris 5.5 |