7R5E

FtrA-P19 from Rubrivivax gelatinosus in complex with copper and magnesium (X1)

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	2021-06-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.73114
Spacegroup name	C 1 2 1
Unit cell lengths	92.580, 48.860, 78.220
Unit cell angles	90.00, 123.15, 90.00

Refinement procedure

Resolution	27.420 - 2.200
R-factor	0.178
Rwork	0.176
R-free	0.21700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7r3p
RMSD bond length	0.010
RMSD bond angle	1.110
Data reduction software	XDS
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.420	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.128	0.554
Number of reflections	14428	523
<I/σ(I)>	8.9
Completeness [%]	98.5
Redundancy	4.1
CC(1/2)	0.982	0.561

Crystallization Conditions

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