7ZJQ

Human TEAD3 in complex with 1-Cyclopentyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-12
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.99980
Spacegroup name	P 21 21 21
Unit cell lengths	65.470, 121.660, 154.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.770 - 2.095
R-factor	0.2578
Rwork	0.257
R-free	0.27890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5emw
RMSD bond length	0.008
RMSD bond angle	0.960
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	BUSTER (2.11.8 (3-FEB-2022))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.771	2.220
High resolution limit [Å]	2.095	2.095
Rmeas	0.095
Number of reflections	72638	11388
<I/σ(I)>	13.6
Completeness [%]	99.2	97.6
Redundancy	6.7
CC(1/2)	1.000	0.040

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	100 mM Sodium Acetate, 100 mM Calcium acetate,, 10% PEG 4000