5TWX

Crystal Structure of BRD9 bromodomain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-20
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 65 2 2
Unit cell lengths	75.260, 75.260, 344.330
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	64.040 - 2.550
R-factor	0.235
Rwork	0.233
R-free	0.27980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yyd
RMSD bond length	0.005
RMSD bond angle	1.478
Data reduction software	XSCALE
Data scaling software	Aimless (0.5.27)
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	64.040	64.060	2.590
High resolution limit [Å]	2.550	6.920	2.550
Rmeas	0.143	0.038	2.030
Rpim	0.038	0.011	0.526
Total number of observations	260441	13496	14100
Number of reflections	19982	1165	989
<I/σ(I)>	15.3	47.1	1.6
Completeness [%]	100.0	99.2	100
Redundancy	13	11.6	14.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG 4000