7PFK
20 minute Fe2+ soaked structure of SynFtn variant 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 | 176.590, 176.590, 176.590 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.513 - 1.550 |
R-factor | 0.1549 |
Rwork | 0.153 |
R-free | 0.18620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ouw |
RMSD bond length | 0.005 |
RMSD bond angle | 0.665 |
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] | 44.150 | 44.170 | 1.540 |
High resolution limit [Å] | 1.510 | 4.100 | 1.510 |
Rmeas | 0.045 | 0.030 | 1.744 |
Rpim | 0.014 | 0.010 | 0.780 |
Total number of observations | 332881 | 17675 | 8131 |
Number of reflections | 37333 | 2100 | 1757 |
<I/σ(I)> | 21.3 | 58.3 | 0.9 |
Completeness [%] | 99.5 | 99.6 | 95.7 |
Redundancy | 8.9 | 8.4 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 289 | 2M NaCl |