4KV1

Crystal Structure of Brd4 Bromodomain 1 in Complex with Acetylated Rel Peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Detector technology	CCD
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 21 21 21
Unit cell lengths	42.011, 59.733, 118.889
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.363 - 1.500
R-factor	0.1992
Rwork	0.198
R-free	0.22230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.037
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.550
High resolution limit [Å]	1.500	1.500
Number of reflections	48227
Completeness [%]	98.7	89

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	273	20% PEG 3350, 0.2 M NaNO3, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 273K