6GKB
Iron soak structure of Y40F SynFtn
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 | 2014-11-20 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97949 |
Spacegroup name | F 4 3 2 |
Unit cell lengths | 176.679, 176.679, 176.679 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 62.465 - 1.900 |
R-factor | 0.169 |
Rwork | 0.167 |
R-free | 0.20990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1eum |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHENIX (1.13_2998) |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.470 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.047 | 0.855 |
Rmeas | 0.059 | 1.078 |
Rpim | 0.036 | 0.648 |
Number of reflections | 18124 | 1149 |
<I/σ(I)> | 14.4 | 1.4 |
Completeness [%] | 95.9 | 98.1 |
Redundancy | 4.1 | 4 |
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 |