9V63

Crystal structure of Escherichia coli CyaY by fixed target serial synchrotron crystallography

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	293
Detector technology	PIXEL
Collection date	2024-05-03
Detector	DECTRIS EIGER2 R 4M
Wavelength(s)	0.976
Spacegroup name	P 32 2 1
Unit cell lengths	45.200, 45.200, 101.100
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.140 - 1.700
Rwork	0.260
R-free	0.31290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ew4
RMSD bond length	0.013
RMSD bond angle	2.276
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.88))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.140	1.830
High resolution limit [Å]	1.700	1.700
Number of reflections	13634	1318
<I/σ(I)>	1.99
Completeness [%]	98.9
Redundancy	10.5
CC(1/2)	0.360	0.060

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	277	4 M NaCl, 0.1 M citric acid, pH:4