5C6S

Human Bromodomain and PHD Finger Containing 1, PWWP domain in complex with XST005904a

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	2015-01-23
Detector	RAYONIX MX-300
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	44.453, 44.453, 125.877
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.920 - 1.300
R-factor	0.1944
Rwork	0.194
R-free	0.21740
RMSD bond length	0.009
RMSD bond angle	1.360
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.8.0123)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.320
High resolution limit [Å]	1.300	3.530	1.300
Rmerge	0.108	0.079	0.976
Rmeas	0.111	0.083
Rpim	0.032	0.024	0.304
Total number of observations	400377
Number of reflections	32041
<I/σ(I)>	8.1
Completeness [%]	99.6	96.6	99.5
Redundancy	12.5	11.2	10.4
CC(1/2)		0.996	0.785

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	25% PEG 3350, 0.2M LiSO4, 0.1M HEPES pH7.5