5LPK

Crystal structure of the bromodomain of human EP300 bound to the inhibitor XDM1

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	2013-11-23
Detector	PSI PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	133.600, 61.040, 135.680
Unit cell angles	90.00, 98.31, 90.00

Refinement procedure

Resolution	41.520 - 2.100
R-factor	0.1778
Rwork	0.176
R-free	0.20290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	apo-p300 (pdb 3I3J)
RMSD bond length	0.009
RMSD bond angle	1.301
Data reduction software	XDS
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER (2.5.5)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.520	41.520	1.810
High resolution limit [Å]	1.780	9.740	1.780
Rmerge	0.130	0.036	2.986
Rmeas		0.040	3.447
Rpim		0.017	1.682
Total number of observations		3323	19616
Number of reflections	104124
<I/σ(I)>	7	28.9	0.4
Completeness [%]	99.9	98.6	99.8
Redundancy	4.8	4.9	3.9
CC(1/2)	0.997	0.999	0.168

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.5	277	PEG 3350, NaCl