7AWZ
Crystal structure of the computationally designed Scone-E protein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-26 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.443, 61.952, 54.059 |
Unit cell angles | 90.00, 111.53, 90.00 |
Refinement procedure
Resolution | 43.200 - 1.600 |
R-factor | 0.1802 |
Rwork | 0.178 |
R-free | 0.21460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6tjg |
RMSD bond length | 0.010 |
RMSD bond angle | 1.032 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.200 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.047 | 0.440 |
Rmeas | 0.056 | 0.505 |
Rpim | 0.025 | 0.240 |
Number of reflections | 37687 | 1845 |
<I/σ(I)> | 14.1 | 2.6 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 4.4 | 4.1 |
CC(1/2) | 0.999 | 0.866 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293.15 | 0.1M MES 40% (v/v) MDP 3.5mM STA |