6I7A

Co-crystal structure of human SPOP MATH domain (D140N) and human BRD3 fragment

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-23
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9660
Spacegroup name	P 41 21 2
Unit cell lengths	90.351, 90.351, 166.591
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.912 - 2.200
R-factor	0.1996
Rwork	0.198
R-free	0.23360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6i41
RMSD bond length	0.003
RMSD bond angle	0.559
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	8.720	1.999
High resolution limit [Å]	1.950	1.950
Number of reflections	51096	3725
<I/σ(I)>	14.71
Completeness [%]	99.9
Redundancy	8.48
CC(1/2)	0.999	0.271

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	294	200 mM Sodium chloride, 100 mM HEPES pH 7.0, 20% (w/v) PEG 6000