6SW3

Crystal structure of CREBBP bromodomain L1109W mutant

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	2019-09-13
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	24.660, 45.790, 109.300
Unit cell angles	90.00, 95.69, 90.00

Refinement procedure

Resolution	42.200 - 1.200
R-factor	0.2019
Rwork	0.201
R-free	0.22110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mme
RMSD bond length	0.005
RMSD bond angle	0.797
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.800	1.270
High resolution limit [Å]	1.200	1.200
Number of reflections	74912	11777
<I/σ(I)>	7.83
Completeness [%]	98.7
Redundancy	4.317
CC(1/2)	0.997	0.666

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277.15	8% Ethylene Glycol (V/V), 0.1 M HEPES pH 7.5, 10% PEG 8000 (W/V)