7A7Z
rsGreen0.7-K206A-E222G in the green-on state
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-19 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 48.245, 61.556, 93.098 |
Unit cell angles | 90.00, 97.41, 90.00 |
Refinement procedure
Resolution | 40.402 - 1.100 |
R-factor | 0.1235 |
Rwork | 0.122 |
R-free | 0.14240 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.034 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.32) |
Phasing software | PHASER (2.7.16) |
Refinement software | PHENIX (1.11) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.910 | 44.910 | 1.120 |
High resolution limit [Å] | 1.100 | 6.020 | 1.100 |
Rmerge | 0.029 | 0.017 | 0.623 |
Rmeas | 0.033 | 0.019 | 0.740 |
Rpim | 0.017 | 0.009 | 0.392 |
Total number of observations | 2737 | 18148 | |
Number of reflections | 108890 | 700 | 5350 |
<I/σ(I)> | 16.7 | 59.4 | 1.8 |
Completeness [%] | 99.6 | 99.1 | 99.7 |
Redundancy | 3.6 | 3.9 | 3.4 |
CC(1/2) | 1.000 | 0.999 | 0.879 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 200 mM (Li)2SO4 100 mM Tris pH 8.5 40 % PEG 400 |