7ZKF

Crystal Structure of human Brachyury G177D variant in complex with CF-5-86

This is a non-PDB format compatible entry.

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	2021-03-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	H 3 2
Unit cell lengths	99.960, 99.960, 99.030
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.980 - 1.490
R-factor	0.1833
Rwork	0.181
R-free	0.21900
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.006
RMSD bond angle	0.832
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]	42.980	1.546
High resolution limit [Å]	1.490	1.493
Rmerge	0.045	0.747
Number of reflections	24512	718
<I/σ(I)>	32.76	0.81
Completeness [%]	79.0	23.11
Redundancy	16
CC(1/2)	0.990	0.617

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	0.1 M SPG pH 7.0, 30 % PEG 1000