3MUK

Crystal structure of Brd4 bromodomain 1 with propionylated histone H3-K(prop)23

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	35.213, 47.008, 78.101
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.600 - 1.750
R-factor	0.17451
Rwork	0.172
R-free	0.21879
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3jvj
RMSD bond length	0.023
RMSD bond angle	1.936
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC (5.2.0019)
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.600	1.800
High resolution limit [Å]	1.750	1.750
Rmerge	0.086	0.532
Number of reflections	13605
<I/σ(I)>	20.1	4.2
Completeness [%]	99.7	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	3.6M Na formate, 10% glycerol, soaked with 20-times excess of histone octapeptide, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K