9XHP

The complex structure of SoBcmD and its substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	58.771, 81.751, 106.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.460 - 1.410
R-factor	0.150586666766
Rwork	0.149
R-free	0.17220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.129
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.720	1.430
High resolution limit [Å]	1.410	1.410
Rmerge	0.079	1.186
Number of reflections	99331	4875
<I/σ(I)>	23.6
Completeness [%]	100.0
Redundancy	12.8
CC(1/2)	1.000	0.768

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.26 M sodium phosphate monobasic monohydrate and 0.14 M potassium phosphate dibasic (pH 5.6)