7PFH
2 minute Fe2+ soak structure of SynFtn E141D
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 | 2020-06-17 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | F 4 3 2 |
Unit cell lengths | 176.870, 176.870, 176.870 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.218 - 1.500 |
R-factor | 0.1536 |
Rwork | 0.153 |
R-free | 0.17110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ouw |
RMSD bond length | 0.004 |
RMSD bond angle | 0.661 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 53.300 | 53.340 | 1.440 |
High resolution limit [Å] | 1.410 | 3.830 | 1.410 |
Rmeas | 0.047 | 0.029 | 1.802 |
Rpim | 0.011 | 0.007 | 0.871 |
Total number of observations | 685729 | 43689 | 8892 |
Number of reflections | 45787 | 2563 | 2192 |
<I/σ(I)> | 23.3 | 128 | 0.2 |
Completeness [%] | 99.7 | 99.7 | 96.9 |
Redundancy | 15 | 17 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 289 | 2M NaCl |