6SBA

Crystal Structure of mTEAD with a VGL4 Tertiary Structure Mimetic

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	P 21 21 21
Unit cell lengths	56.500, 65.110, 74.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.142 - 1.300
R-factor	0.1518
Rwork	0.151
R-free	0.17460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nl0
RMSD bond length	0.024
RMSD bond angle	2.028
Data reduction software	XDS (31-MAR-2018)
Data scaling software	XSCALE (31-MAR-2018)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.142	49.142	1.330
High resolution limit [Å]	1.300	5.810	1.300
Rmerge	0.098	0.073	3.057
Rmeas	0.102	0.076	3.179
Total number of observations	893245
Number of reflections	67179	871	4803
<I/σ(I)>	11.96	32.34	0.85
Completeness [%]	97.9	99.7	96.1
Redundancy	13.296	12.347	13.043
CC(1/2)	0.998	0.995	0.409

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.1M HEPES, 15% w/v PEG4000