8SMA
SfbO with di-Manganese cofactor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-07-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.89 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 85.388, 127.408, 137.749 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 93.530 - 2.180 |
R-factor | 0.1504 |
Rwork | 0.149 |
R-free | 0.19160 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.850 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 93.530 | 2.258 |
High resolution limit [Å] | 2.180 | 2.180 |
Number of reflections | 78479 | 7775 |
<I/σ(I)> | 17.91 | |
Completeness [%] | 99.2 | |
Redundancy | 12.4 | |
CC(1/2) | 0.998 | 0.987 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 21% PEG 5000 MME, 0.1M MES, 0.2M Ammonium sulfate, 10% glycerol |