8XHP

The apo structure of SsBcmC

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	2021-07-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	C 1 2 1
Unit cell lengths	128.966, 74.233, 98.046
Unit cell angles	90.00, 104.13, 90.00

Refinement procedure

Resolution	19.772 - 1.860
R-factor	0.206766130415
Rwork	0.205
R-free	0.23161
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7v3o
RMSD bond length	0.004
RMSD bond angle	0.706
Data reduction software	XDS (Version February 5, 2021)
Data scaling software	XDS (Version February 5, 2021)
Phasing software	PHASER (1.11.1_2575)
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.772	1.900
High resolution limit [Å]	1.860	1.860
Rmerge	0.163	0.767
Rpim	0.072	0.324
Number of reflections	75346	4444
<I/σ(I)>	6.3	1.6
Completeness [%]	99.9	100
Redundancy	6.1	6.3
CC(1/2)	0.987	0.682

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M MES/imidazole pH6.5, 0.03 M of each divalent cation (0.3 M magnesium chloride, 0.3 M calcium chloride) and 10% PEG20000, 20%PEG MME 550