7EOV

Crystal structure of mouse cytosolic sulfotransferase mSULT2A8 in complex with PAP and cholic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2007-04-23
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1
Spacegroup name	I 41 2 2
Unit cell lengths	94.564, 94.564, 244.555
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.400 - 2.600
R-factor	0.2359
Rwork	0.234
R-free	0.26520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q22
RMSD bond length	0.011
RMSD bond angle	1.036
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.300	2.730
High resolution limit [Å]	2.600	2.600
Rpim	0.022	0.549
Number of reflections	17560	2425
<I/σ(I)>	24.4	1.5
Completeness [%]	99.6
Redundancy	14.3
CC(1/2)	1.000	0.741

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.5M ammonium sulfate, 0.1M tri-sodium citrate dihydrate pH 5.6, 0.7M lithium sulfate