3MO8

PWWP Domain of Human Bromodomain and PHD finger-containing protein 1 In Complex with Trimethylated H3K36 Peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-17
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97935
Spacegroup name	I 2 2 2
Unit cell lengths	43.086, 70.605, 113.539
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.780 - 1.690
R-factor	0.19249
Rwork	0.192
R-free	0.20741
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3l42
RMSD bond length	0.011
RMSD bond angle	1.214
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (refmac_5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.740
High resolution limit [Å]	1.690	4.190	1.690
Rmerge	0.062	0.036	0.407
Number of reflections	19545
<I/σ(I)>	12.1
Completeness [%]	99.4	97.3	96.7
Redundancy	7.7	7.2	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	3.5M sodium formate, 0.1M Tris-HCl pH8.5, H3K36me3 peptide, VAPOR DIFFUSION, SITTING DROP, temperature 293K