5XPI

Structure of UHRF1 TTD in complex with NV01

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9793
Spacegroup name	P 62
Unit cell lengths	99.001, 99.001, 41.315
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.870 - 2.200
R-factor	0.2009
Rwork	0.200
R-free	0.21860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3db3
RMSD bond length	0.010
RMSD bond angle	1.060
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	BUSTER (2.9.6)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.280
High resolution limit [Å]	2.200	4.740	2.200
Rmerge	0.079	0.056	0.214
Number of reflections	11915
<I/σ(I)>	16.8
Completeness [%]	99.9	98.7	100
Redundancy	11.1	10.3	11.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.2	293	2.7 M Na formate and 0.1 M Na acetate pH 5.2