8K4I

Crystal structure of YajQ STM0435

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	34.709, 42.684, 104.198
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.930 - 1.480
R-factor	0.1944
Rwork	0.194
R-free	0.21160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.910
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]	39.500	1.560
High resolution limit [Å]	1.480	1.480
Number of reflections	23099	1748
<I/σ(I)>	33.8
Completeness [%]	87.3
Redundancy	9.1
CC(1/2)	1.000	0.917

Crystallization Conditions

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