6WY8

Tcur3481-Tcur3483 steroid ACAD

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	CCD
Collection date	2016-08-19
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	P 2 21 21
Unit cell lengths	76.620, 138.610, 147.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.520 - 2.100
R-factor	0.1518
Rwork	0.150
R-free	0.19330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x28
RMSD bond length	0.011
RMSD bond angle	1.056
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]	48.520	2.150
High resolution limit [Å]	2.100	2.100
Rmeas	0.148
Number of reflections	91651	6694
<I/σ(I)>	11.83
Completeness [%]	99.6	100
Redundancy	5.7	5.8
CC(1/2)	0.997	0.833

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.2 M ammonium sulfate, 30% (w/v) PEG 5000 MME, and 0.1 M MES