3SOU

Structure of UHRF1 PHD finger in complex with histone H3 1-9 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.2828
Spacegroup name	P 43 21 2
Unit cell lengths	43.218, 43.218, 184.347
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.950 - 1.800
R-factor	0.2169
Rwork	0.215
R-free	0.24320
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.167
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.4_153)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	1.860
High resolution limit [Å]	1.800	3.870	1.800
Rmerge	0.069	0.045	0.541
Number of reflections	17072
<I/σ(I)>	15.6		1.67
Completeness [%]	99.1	98.9	92.1
Redundancy	13.1	11	6.5

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