7R4Z

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

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	2021-05-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.73925
Spacegroup name	P 21 21 21
Unit cell lengths	60.820, 71.230, 79.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.250 - 2.750
R-factor	0.173
Rwork	0.171
R-free	0.22600
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	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.250	2.920
High resolution limit [Å]	2.750	2.750
Rmerge	0.167	1.072
Number of reflections	9026	1146
<I/σ(I)>	10.2
Completeness [%]	95.5
Redundancy	5.8
CC(1/2)	0.998	0.654

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	292	20% PEG2K MME, 0.1M Tris-HCl