3LYI

PWWP Domain of Human Bromodomain-Containing Protein 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-01-24
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97949
Spacegroup name	P 21 21 21
Unit cell lengths	45.029, 46.085, 130.712
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.660 - 2.100
R-factor	0.236
Rwork	0.234
R-free	0.27600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3l42
RMSD bond length	0.012
RMSD bond angle	1.359
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	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.074	0.036	0.495
Number of reflections	16475
<I/σ(I)>	11.5
Completeness [%]	99.0	99.4	95.3
Redundancy	6.7	7.4	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	30% PEG2000-MME, 0.15M KBr, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K