7D1X

Crystal structure of 7-alpha-hydroxyl bile acid sulfotransferase (Sult2a8)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2019-10-29
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 42
Unit cell lengths	93.870, 93.870, 71.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.680 - 2.500
R-factor	0.2467
Rwork	0.238
R-free	0.27150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3f3y
RMSD bond length	0.003
RMSD bond angle	0.721
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (dev_3922)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.680	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.157	0.471
Number of reflections	21605	3135
<I/σ(I)>	5.6	2.2
Completeness [%]	99.0
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	MES, PEG3350, MgCl2