7R5G

FtrA-P19 from Rubrivivax gelatinosus in complex with copper and magnesium (X2)

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	2021-11-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.7390
Spacegroup name	C 1 2 1
Unit cell lengths	92.590, 48.360, 78.560
Unit cell angles	90.00, 122.76, 90.00

Refinement procedure

Resolution	41.080 - 2.200
R-factor	0.172
Rwork	0.170
R-free	0.19600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7r3p
RMSD bond length	0.010
RMSD bond angle	1.080
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.080	2.230
High resolution limit [Å]	2.200	2.200
Rmerge	0.067	0.506
Number of reflections	15041	711
<I/σ(I)>	11
Completeness [%]	99.7
Redundancy	4.7
CC(1/2)	0.997	0.873

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	292	25% PEG 4K, 0.1 M Tris-HCl, 50 mM MgCl2