6SOR
20 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 | 176.450, 176.450, 176.450 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.480 - 1.740 |
R-factor | 0.1588 |
Rwork | 0.157 |
R-free | 0.18760 |
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] | 50.940 | 50.940 | 1.790 |
High resolution limit [Å] | 1.740 | 7.780 | 1.740 |
Rmerge | 0.070 | 0.047 | 1.197 |
Rmeas | 0.075 | 0.051 | 1.301 |
Rpim | 0.027 | 0.020 | 0.503 |
Total number of observations | 194104 | 2185 | 11694 |
Number of reflections | 24712 | 351 | 1801 |
<I/σ(I)> | 15.1 | 43.7 | 1.4 |
Completeness [%] | 99.9 | 99.3 | 100 |
Redundancy | 7.9 | 6.2 | 6.5 |
CC(1/2) | 0.998 | 0.997 | 0.547 |
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 |