5NU5

Crystal structure of the human bromodomain of EP300 bound to the inhibitor XDM-CBP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	37.920, 82.433, 42.608
Unit cell angles	90.00, 110.77, 90.00

Refinement procedure

Resolution	41.220 - 1.600
R-factor	0.1634
Rwork	0.162
R-free	0.18540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nyx
RMSD bond length	0.006
RMSD bond angle	1.353
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.7.16)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.220	41.220	1.630
High resolution limit [Å]	1.600	8.760	1.600
Rmerge	0.051	0.026	0.419
Rmeas	0.061	0.031	0.496
Rpim	0.033	0.018	0.263
Total number of observations	108101
Number of reflections	31598
<I/σ(I)>	14.2
Completeness [%]	97.9	94.6	97.9
Redundancy	3.4	3.4	3.5
CC(1/2)	0.998	0.998	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.5	277	KSCN, NaBr, PEG 6000, PEG 8000, PEG 10000