7AX0
Crystal structure of the computationally designed Scone-E protein co-crystallized with STA form a
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 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 88.270, 88.270, 194.987 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 71.170 - 2.200 |
R-factor | 0.2092 |
Rwork | 0.208 |
R-free | 0.23980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6tjg |
RMSD bond length | 0.011 |
RMSD bond angle | 1.293 |
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] | 71.170 | 2.270 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.140 | 1.770 |
Rmeas | 0.146 | |
Rpim | 0.039 | 0.530 |
Number of reflections | 43141 | 4026 |
<I/σ(I)> | 16.7 | 3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 12.7 | 11.3 |
CC(1/2) | 0.999 | 0.919 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293.15 | 1.8M Na/K phosphate 3.5 mM STA |