6GKA
20 minute Fe2+ soak structure of SynFtn
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 6M-F |
Wavelength(s) | 0.97953 |
Spacegroup name | F 4 3 2 |
Unit cell lengths | 177.260, 177.260, 177.260 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.666 - 1.760 |
R-factor | 0.158 |
Rwork | 0.157 |
R-free | 0.18650 |
Data reduction software | xia2 |
Data scaling software | Aimless (0.6.2) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 53.450 | 53.450 | 1.800 |
High resolution limit [Å] | 1.760 | 8.980 | 1.760 |
Rmerge | 0.052 | 0.027 | 0.731 |
Rmeas | 0.059 | 0.031 | 0.854 |
Rpim | 0.028 | 0.015 | 0.428 |
Number of reflections | 23392 | 209 | 1299 |
<I/σ(I)> | 15.6 | ||
Completeness [%] | 97.1 | 91.8 | 95.5 |
Redundancy | 4.1 | 3.3 | 3.5 |
CC(1/2) | 0.999 | 0.999 | 0.585 |
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 |