7ZL2

Crystal Structure of human Brachyury G177D variant in complex with Molpolrt-039-246-810

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9762
Spacegroup name	H 3 2
Unit cell lengths	99.970, 99.970, 99.360
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.090 - 1.800
R-factor	0.2258
Rwork	0.223
R-free	0.27260
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.002
RMSD bond angle	0.524
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.270	1.830
High resolution limit [Å]	1.800	1.800
Rmeas	0.124	2.187
Number of reflections	17841	873
<I/σ(I)>	16.5	1.3
Completeness [%]	99.9	100
Redundancy	20.4
CC(1/2)	0.990	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M SPG pH 7.0, 30 % PEG 1000