3SOW

Structure of UHRF1 PHD finger in complex with histone H3K4me3 1-9 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	P 43 21 2
Unit cell lengths	42.622, 42.622, 183.489
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.778 - 1.950
R-factor	0.2052
Rwork	0.203
R-free	0.24670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3SOU CHAIN A
RMSD bond length	0.008
RMSD bond angle	1.115
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.5_2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.980
High resolution limit [Å]	1.950	5.290	1.950
Rmerge	0.120	0.055	0.781
Number of reflections	13122
<I/σ(I)>	11.2		3.23
Completeness [%]	98.7	98.2	96.1
Redundancy	13.3	14.3	13.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	30% w/v polyethylene glycol 8,000, 0.2 M sodium acetate trihydrate, 0.1 M sodium cacodylate trihydrate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K