9KF4

Crystal structure of Streptomyces sp. sulfotransferase Cpz4 involved in Caprazamycins Synthesis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0000
Spacegroup name	P 62 2 2
Unit cell lengths	98.150, 98.150, 219.550
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.890 - 1.930
R-factor	0.1662
Rwork	0.165
R-free	0.19760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.011
RMSD bond angle	0.961
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.980
High resolution limit [Å]	1.930	1.930
Number of reflections	47828	3199
<I/σ(I)>	20.51
Completeness [%]	100.0
Redundancy	28.4
CC(1/2)	0.990	0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Sodium formate, PEG400