7ZK2

Crystal Structure of human Brachyury G177D variant in complex with CSC027898502

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)	0.9763
Spacegroup name	H 3 2
Unit cell lengths	99.920, 99.920, 98.680
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.630 - 1.600
R-factor	0.2072
Rwork	0.206
R-free	0.23270
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.009
RMSD bond angle	0.980
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]	39.630	1.657
High resolution limit [Å]	1.600	1.600
Rmerge	0.124	2.721
Rpim	0.030
Number of reflections	25137	2476
<I/σ(I)>	11.83	0.76
Completeness [%]	99.7
Redundancy	16
CC(1/2)	0.999	0.374

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	0.1 M SPG pH 7.0, 30 % PEG 1000