6LQX

Crystal structure of the CBP bromodomain in complex with small molecule LC-CPin7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-05-16
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97852
Spacegroup name	P 1 21 1
Unit cell lengths	44.890, 68.789, 76.669
Unit cell angles	90.00, 91.75, 90.00

Refinement procedure

Resolution	38.220 - 2.460
R-factor	0.1747
Rwork	0.171
R-free	0.26020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4uof
RMSD bond length	0.008
RMSD bond angle	0.919
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.220	2.548
High resolution limit [Å]	2.460	2.460
Rmerge	0.177
Number of reflections	16809	1643
<I/σ(I)>	9.5
Completeness [%]	98.4
Redundancy	6.5
CC(1/2)		0.885

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.7	298	0.2 M Sodium phosphate monobasic monohydrate;20% w/v Polyethylene glycol 3,350;Ph 4.7