7KBY
Artificial Metalloproteins with Dinuclear Iron Centers
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-03-16 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 57.560, 57.560, 183.450 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.950 - 1.700 |
R-factor | 0.1936 |
Rwork | 0.192 |
R-free | 0.22410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qcb |
RMSD bond length | 0.013 |
RMSD bond angle | 2.685 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.860 | 45.860 | 1.730 |
High resolution limit [Å] | 1.700 | 9.000 | 1.700 |
Rmerge | 0.210 | 0.063 | 1.840 |
Rmeas | 0.220 | 0.067 | 1.922 |
Rpim | 0.063 | 0.020 | 0.549 |
Total number of observations | 205175 | 1700 | 10529 |
Number of reflections | 17537 | 158 | 899 |
<I/σ(I)> | 9.1 | 26.9 | 1.8 |
Completeness [%] | 100.0 | 99.1 | 100 |
Redundancy | 11.7 | 10.8 | 11.7 |
CC(1/2) | 0.997 | 0.994 | 0.380 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 295 | 26 mg/mL 2.0 M ammonium sulfate, 0.1 M sodium acetate pH 4 |