8HZ1

Ambient temperature crystal structure of Escherichia coli CyaY

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU PhotonJet-R
Temperature [K]	298
Detector technology	PIXEL
Collection date	2022-09-14
Detector	RIGAKU HyPix-3000
Wavelength(s)	1.54
Spacegroup name	P 32 2 1
Unit cell lengths	45.167, 45.167, 101.129
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.940 - 2.000
R-factor	0.3197
Rwork	0.316
R-free	0.35590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ew4
RMSD bond length	0.002
RMSD bond angle	0.448
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]	31.040	2.070
High resolution limit [Å]	1.990	2.000
Number of reflections	7996	2934
<I/σ(I)>	5.88
Completeness [%]	93.3
Redundancy	1.9
CC(1/2)	0.877	0.221

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)