3PFS

PWWP Domain of Human Bromodomain and PHD finger-containing protein 3

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	2010-08-18
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97924
Spacegroup name	P 21 21 2
Unit cell lengths	68.412, 134.522, 30.226
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.631 - 1.900
R-factor	0.2134
Rwork	0.211
R-free	0.25890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2x4w
RMSD bond length	0.011
RMSD bond angle	1.199
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (refmac_5.6.0081)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.631	33.631	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.091	0.048	0.476
Number of reflections	22879
<I/σ(I)>	9.5
Completeness [%]	99.9	99.3	100
Redundancy	6	5.6	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	30% PEG4000, 0.2M Ammonium Sulfate, 0.1M Sodium Cacodylate pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K