8PJS
Crystal structure of the computationally designed SAKe6CEref 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 | 2018-07-25 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.979510 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 60.346, 60.346, 127.901 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.380 - 1.700 |
R-factor | 0.1596 |
Rwork | 0.159 |
R-free | 0.17780 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.930 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.380 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.110 | 1.104 |
Rmeas | 0.114 | 1.148 |
Rpim | 0.031 | 0.314 |
Total number of observations | 410457 | 21046 |
Number of reflections | 30518 | 1605 |
<I/σ(I)> | 17.7 | 2.7 |
Completeness [%] | 100.0 | |
Redundancy | 13.4 | 13.1 |
CC(1/2) | 0.999 | 0.893 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293.15 | 0.09 M HEPES sodium salt pH 7.5, 1.26 M tri-Sodium citrate, 10% (v/v) Glycerol |