5EA1

Crystal Structure of SMARCA4 bromodomain in complex with MPD

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	2015-03-05
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.000
Spacegroup name	P 65
Unit cell lengths	86.783, 86.783, 97.959
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.391 - 2.000
R-factor	0.1939
Rwork	0.192
R-free	0.22760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ir5
RMSD bond length	0.004
RMSD bond angle	0.865
Data reduction software	XDS
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.390	43.390	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.083	0.014	0.678
Rpim	0.050	0.008	0.407
Total number of observations	102791	1265	7513
Number of reflections	28198
<I/σ(I)>	13.1	64	2.1
Completeness [%]	99.6	99.4	98
Redundancy	3.6	3.8	3.7
CC(1/2)	0.998	1.000	0.716

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	PEG1000 (12.5%), PEG3350 (12.5%), MPD (12.5%)