6SOM
Metal free 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 | 2018-06-25 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | F 4 3 2 |
Unit cell lengths | 176.760, 176.760, 176.760 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.552 - 2.150 |
R-factor | 0.1881 |
Rwork | 0.185 |
R-free | 0.23970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1eum |
Data reduction software | xia2 |
Data scaling software | Aimless (0.7.1) |
Phasing software | PHASER |
Refinement software | PHENIX (1.15_3459) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.552 | 40.550 | 2.210 |
High resolution limit [Å] | 2.150 | 9.620 | 2.150 |
Rmerge | 0.207 | 0.056 | 2.131 |
Rmeas | 0.213 | 0.058 | 2.196 |
Rpim | 0.052 | 0.015 | 0.523 |
Total number of observations | 2383 | 17016 | |
Number of reflections | 13408 | 190 | 975 |
<I/σ(I)> | 10.3 | 30.2 | 1.4 |
Completeness [%] | 99.9 | 96.8 | 100 |
Redundancy | 16.6 | 12.5 | 17.5 |
CC(1/2) | 0.997 | 0.998 | 0.632 |
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 |