8PJY
Crystal structure of the computationally designed SAKe6EEref 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 | 2018-04-23 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.978570 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.048, 66.661, 48.243 |
Unit cell angles | 90.00, 117.59, 90.00 |
Refinement procedure
Resolution | 42.760 - 1.300 |
R-factor | 0.1371 |
Rwork | 0.136 |
R-free | 0.15490 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.127 |
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] | 42.760 | 1.320 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.039 | 0.645 |
Rmeas | 0.044 | 0.728 |
Rpim | 0.020 | 0.332 |
Total number of observations | 300926 | 15047 |
Number of reflections | 64797 | 3261 |
<I/σ(I)> | 18.4 | 2.3 |
Completeness [%] | 99.9 | |
Redundancy | 4.6 | 4.6 |
CC(1/2) | 1.000 | 0.835 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293.15 | 0.2 M Ammonium acetate, 0.1 M bis-Tris pH 5.5, 25 % PEG 3350 |