4YYH

Crystal structure of BRD9 Bromodomain bound to a crotonyllysine peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-01
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	C 1 2 1
Unit cell lengths	126.147, 35.700, 65.019
Unit cell angles	90.00, 99.01, 90.00

Refinement procedure

Resolution	29.920 - 1.740
R-factor	0.2142
Rwork	0.212
R-free	0.25980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hme
RMSD bond length	0.022
RMSD bond angle	2.001
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.800
High resolution limit [Å]	1.740	3.750	1.740
Rmerge	0.050	0.035	0.573
Total number of observations	108728
Number of reflections	29841
<I/σ(I)>	11.8
Completeness [%]	99.8	98.7	100
Redundancy	3.6	3.6	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	0.1 M sodium citrate, pH 5.5, 0.2 M sodium chloride, 20% w/v PEG3350