6SOO
20 minute Fe2+ soaked structure of SynFtn variant D137A
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 | 2018-06-18 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | F 4 3 2 |
Unit cell lengths | 176.480, 176.480, 176.480 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.945 - 1.570 |
R-factor | 0.1668 |
Rwork | 0.165 |
R-free | 0.19570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1eum |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.15_3459) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.950 | 50.950 | 1.610 |
High resolution limit [Å] | 1.570 | 7.020 | 1.570 |
Rmerge | 0.062 | 0.029 | 3.088 |
Rmeas | 0.063 | 0.029 | 3.152 |
Rpim | 0.013 | 0.007 | 0.627 |
Total number of observations | 852799 | 9313 | 61233 |
Number of reflections | 33429 | 470 | 2447 |
<I/σ(I)> | 27.1 | 93.5 | 1.2 |
Completeness [%] | 100.0 | 99.4 | 100 |
Redundancy | 25.5 | 19.8 | 25 |
CC(1/2) | 1.000 | 1.000 | 0.572 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 289 | 0.1 M sodium acetate 2.0 M sodium chloride |