7AX2
Crystal structure of the computationally designed Scone-E protein co-crystallized with STA, form b
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 | I 41 2 2 |
Unit cell lengths | 133.517, 133.517, 70.093 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.210 - 2.100 |
R-factor | 0.1796 |
Rwork | 0.178 |
R-free | 0.20600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6tjg |
RMSD bond length | 0.007 |
RMSD bond angle | 1.131 |
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] | 94.410 | 2.150 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.252 | 1.400 |
Rpim | 0.077 | 0.437 |
Number of reflections | 37562 | 3012 |
<I/σ(I)> | 11.1 | 4.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 22.5 | 23.4 |
CC(1/2) | 0.951 | 0.964 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293.15 | 1.9M Sodium malonate 3.5 mM STA |