7R5P

Strep-tag FtrA-P19 from Rubrivivax gelatinosus in complex with copper and iron

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.980115
Spacegroup name	P 1 21 1
Unit cell lengths	47.575, 77.996, 115.225
Unit cell angles	90.00, 95.83, 90.00

Refinement procedure

Resolution	32.240 - 1.680
R-factor	0.181
Rwork	0.179
R-free	0.21100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7r3p
RMSD bond length	0.010
RMSD bond angle	1.040
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.000	1.860
High resolution limit [Å]	1.680	1.680
Rmerge	0.077	0.738
Number of reflections	92927	4342
<I/σ(I)>	11.4
Completeness [%]	99.5
Redundancy	6.4
CC(1/2)	0.998	0.725

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	25% PEG4K, 0.1 M Tris-HCl, 0.2 M MgCl2