7R3S

FtrA/P19 of Rubrivivax gelatinosus in complex with Ni

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-27
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.48484
Spacegroup name	P 21 21 21
Unit cell lengths	59.280, 79.810, 82.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.590 - 1.790
R-factor	0.177
Rwork	0.176
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7r3p
RMSD bond length	0.010
RMSD bond angle	1.070
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]	47.590	1.900
High resolution limit [Å]	1.790	1.790
Rmerge	0.078
Number of reflections	68702	10524
<I/σ(I)>	12.2
Completeness [%]	99.8
Redundancy	6
CC(1/2)	0.998	0.561

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	2M AS, 0.1 M Citrate Sodium, 0.02 M NiSO4