8K5Q

Crystal structure of YajQ STM0435 with c-di-GMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-01-02
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	26.984, 51.697, 126.267
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.570 - 2.280
R-factor	0.2171
Rwork	0.214
R-free	0.27610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.198
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	126.270	2.420
High resolution limit [Å]	2.280	2.280
Rmerge	0.108
Rmeas	0.113
Rpim	0.031
Number of reflections	8194	983
<I/σ(I)>	17.4
Completeness [%]	95.1
Redundancy	12.3
CC(1/2)	0.997	0.966

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	20% PEG3350, 0.2M Lithium acetate dihydrate