4YYD

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 2 2 21
Unit cell lengths	35.437, 71.021, 102.373
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.590 - 1.520
R-factor	0.2004
Rwork	0.199
R-free	0.22630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hme
RMSD bond length	0.023
RMSD bond angle	2.242
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	1.570
High resolution limit [Å]	1.520	3.270	1.520
Rmerge	0.042	0.029	0.642
Total number of observations	118666
Number of reflections	20052
<I/σ(I)>	13.9
Completeness [%]	99.5	98.6	98.7
Redundancy	5.9	5.7	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	0.2 M sodium malonate, pH 7.0, 20% w/v PEG3350