9V62

Cryogenic temprature crystal structure of Escherichia coli CyaY

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-26
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.95373
Spacegroup name	P 32 2 1
Unit cell lengths	44.486, 44.486, 98.165
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.526 - 1.060
Rwork	0.218
R-free	0.24760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ew4
RMSD bond length	0.012
RMSD bond angle	2.301
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.88))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	98.170	1.080
High resolution limit [Å]	1.060	1.060
Number of reflections	51068	3302
<I/σ(I)>	13.5
Completeness [%]	98.5
Redundancy	10.2
CC(1/2)	0.990	0.350

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