8SM6
Aerobic, Diiron(III)-metalated SfbO
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-12-11 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.987 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.333, 128.501, 138.819 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.320 - 1.390 |
R-factor | 0.1535 |
Rwork | 0.153 |
R-free | 0.16550 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.847 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.320 | 1.440 |
High resolution limit [Å] | 1.390 | 1.390 |
Number of reflections | 306646 | 201888 |
<I/σ(I)> | 18.43 | |
Completeness [%] | 99.4 | 94.5 |
Redundancy | 12.3 | 7 |
CC(1/2) | 0.999 | 0.517 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 4 mg/mL protein concentration, 21% PEG 5000 MME, 0.1 M MES pH 6.0, 0.2 M Ammonium sulfate, and 10% v/v glycerol |