9KF2

Crystal structure of Streptomyces sp. sulfotransferase Cpz8 in complex with PAP, involved in Caprazamycin 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 21 21 21
Unit cell lengths	39.983, 44.161, 101.272
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.480 - 1.550
R-factor	0.1416
Rwork	0.138
R-free	0.17580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	9kf1
RMSD bond length	0.006
RMSD bond angle	0.970
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	1.590
High resolution limit [Å]	1.550	1.550
Number of reflections	23058	520
<I/σ(I)>	10.5	1.6
Completeness [%]	85.4
Redundancy	5.4
CC(1/2)	0.990	0.710

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Ammonium sulfate