8IWI

Cryogenic Temperature Crystal Structure of Escherichia coli CyaY protein at pH 5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU PhotonJet-R
Temperature [K]	298
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	44.290, 44.290, 99.017
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	22.150 - 1.300
R-factor	0.1863
Rwork	0.184
R-free	0.21480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.235
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]	22.150	1.346
High resolution limit [Å]	1.300	1.300
Number of reflections	28426	2765
<I/σ(I)>	12.37
Completeness [%]	99.9
Redundancy	9.9
CC(1/2)	0.998	0.393

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	277	3.2 M Ammonium sulfate, 0.1 M citrate(pH 5)