8ZAE

Crystal structure of RuABA3 from Rutstroemia sp. NJR-2017a WRK4 in complex with FsPP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	LIQUID ANODE
Source details	BRUKER METALJET
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-08-15
Detector	Bruker PHOTON III
Wavelength(s)	1.34138
Spacegroup name	P 21 21 21
Unit cell lengths	51.765, 89.475, 142.712
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.030 - 2.280
R-factor	0.18057
Rwork	0.177
R-free	0.25018
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8zad
RMSD bond length	0.009
RMSD bond angle	1.566
Data reduction software	SAINT
Data scaling software	SAINT
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.030	2.320
High resolution limit [Å]	2.280	2.280
Number of reflections	27175	1746
<I/σ(I)>	8.5
Completeness [%]	98.1
Redundancy	7.3
CC(1/2)	0.996	0.792

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M sodium malonate pH 7.0, 21% PEG 3350, 0.1 M Bis-Tris pH 8.5