7QUG
Crystal structure of carbon-sulfur lyase FnaPatB1 from Fusobacterium nucleatum subspecies animalis in complex with allyl-cysteine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM07 |
Synchrotron site | ESRF |
Beamline | BM07 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979511 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 106.049, 106.049, 204.062 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.290 - 2.600 |
R-factor | 0.2173 |
Rwork | 0.214 |
R-free | 0.26780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6qp2 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.085 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17_3644) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.430 | 2.720 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.142 | 1.800 |
Rmeas | 0.148 | |
Number of reflections | 36686 | 4403 |
<I/σ(I)> | 15 | 1.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.1 | 13.4 |
CC(1/2) | 1.000 | 0.710 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 40 % PEG 300, 0.2 M magnesium chloride in 0.1 M sodium cacodylate-HCl pH 6.5 |