6TLC

Unphosphorylated human STAT3 in complex with MS3-6 monobody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-03
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.00
Spacegroup name	P 41 21 2
Unit cell lengths	111.310, 111.310, 483.467
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.780 - 2.900
R-factor	0.2476
Rwork	0.246
R-free	0.28060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e68
RMSD bond length	0.015
RMSD bond angle	1.935
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.780	2.970
High resolution limit [Å]	2.900	2.900
Number of reflections	68863	4535
<I/σ(I)>	10.3
Completeness [%]	99.9	99.8
Redundancy	26.6
CC(1/2)	0.998	0.252

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291.15	19% PEG300 70mM Calcium acetate dihydrate 100mM imidazole pH = 7