8IVK

Cryogenic temperature crystal structure of Escherichia coli CyaY

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU PhotonJet-R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-16
Detector	RIGAKU HyPix-3000
Wavelength(s)	1.54
Spacegroup name	P 32 2 1
Unit cell lengths	44.456, 44.456, 98.425
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	22.230 - 1.500
R-factor	0.1804
Rwork	0.176
R-free	0.21690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.482
Data reduction software	CrysalisPro (1.171.42.35a)
Data scaling software	CrysalisPro (1.171.42.35a)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.230	1.550
High resolution limit [Å]	1.500	1.500
Number of reflections	18719	1821
<I/σ(I)>	14.11
Completeness [%]	99.9
Redundancy	6
CC(1/2)	0.998	0.582

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	277	0.1 M Citric acid, 4.0 M Sodium chloride (pH 4.0)