6SOQ
2 minute Fe2+ soaked structure of SynFtn variant E62A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-10-02 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | F 4 3 2 |
Unit cell lengths | 177.000, 177.000, 177.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.578 - 1.670 |
R-factor | 0.1528 |
Rwork | 0.151 |
R-free | 0.18300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1eum |
Data reduction software | xia2 |
Data scaling software | Aimless (0.5.27) |
Phasing software | PHASER |
Refinement software | PHENIX (1.15_3459) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.580 | 39.580 | 1.710 |
High resolution limit [Å] | 1.670 | 7.470 | 1.670 |
Rmerge | 0.047 | 0.029 | 1.140 |
Rmeas | 0.051 | 0.031 | 1.270 |
Rpim | 0.018 | 0.012 | 0.540 |
Total number of observations | 211109 | 2360 | 9437 |
Number of reflections | 27810 | 395 | 1853 |
<I/σ(I)> | 22.8 | 74.5 | 1.3 |
Completeness [%] | 99.0 | 99.2 | 91.8 |
Redundancy | 7.6 | 6 | 5.1 |
CC(1/2) | 1.000 | 0.999 | 0.449 |
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 |