6WY9

Tcur3481-Tcur3483 steroid ACAD G363A variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-19
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97949
Spacegroup name	I 21 21 21
Unit cell lengths	99.500, 123.200, 139.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.020 - 2.000
R-factor	0.1716
Rwork	0.170
R-free	0.20200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6wy8
RMSD bond length	0.014
RMSD bond angle	1.184
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.020	2.050
High resolution limit [Å]	2.000	2.000
Rmeas	0.071
Number of reflections	57970	4216
<I/σ(I)>	16.1	2.11
Completeness [%]	100.0	100
Redundancy	8.1
CC(1/2)	0.999	0.765

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	20% PEG 400, 100 mM CaCl2, 10% glycerol, 100 mM HEPES