6SQC

Crystal structure of complex between nuclear coactivator binding domain of CBP and [1040-1086]ACTR containing alpha-methylated Leu1055 and Leu1076

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	2019-04-04
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.00003
Spacegroup name	C 1 2 1
Unit cell lengths	103.180, 42.460, 113.790
Unit cell angles	90.00, 101.13, 90.00

Refinement procedure

Resolution	41.720 - 2.280
R-factor	0.23
Rwork	0.228
R-free	0.27410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5h7q
RMSD bond length	0.006
RMSD bond angle	0.648
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.720	2.362
High resolution limit [Å]	2.280	2.280
Number of reflections	21924	2175
<I/σ(I)>	9.58	1.94
Completeness [%]	97.2
Redundancy	3.4
CC(1/2)	0.995	0.745

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	20% PEG6000, 100 mM Tris pH 8 and 10 mM ZnCl2