8QAY

Medicago truncatula HISN5 (IGPD) in complex with MN, FMT, ACT, CIT, EDO, SO4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU PhotonJet-R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-30
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.5418
Spacegroup name	H 3
Unit cell lengths	137.600, 137.600, 265.650
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.400 - 2.200
R-factor	0.1895
Rwork	0.189
R-free	0.23140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.929
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.000	2.260
High resolution limit [Å]	2.200	2.200
Rmerge	0.192	1.110
Rmeas	0.234	1.347
Number of reflections	93797	6685
<I/σ(I)>	5.72	1.22
Completeness [%]	98.8	95
Redundancy	2.99
CC(1/2)	0.986	0.470

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	0.1 M carboxylic acids (0.2 M sodium formate, 0.2 M ammonium acetate, 0.2M sodium citrate tribasic dihydrate, 0.2 M potassium sodium tartrate tetrahydrate, 0.2 M sodium oxamate); 1.0 M sodium HEPES, MOPS (acid), 40% glycerol, 20% w/v PEG 4000