5NRR

Human DNMT3B PWWP domain in complex with 5-[(2-Hydroxyethyl)(propyl)amino]-1-pentanol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-03-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978570
Spacegroup name	P 32 2 1
Unit cell lengths	73.502, 73.502, 159.958
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.874 - 1.700
R-factor	0.1945
Rwork	0.194
R-free	0.21320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qkj
RMSD bond length	0.007
RMSD bond angle	1.085
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.874	1.810
High resolution limit [Å]	1.700	1.700
Rmerge	0.035	0.656
Number of reflections	55899	8885
<I/σ(I)>	25.59	2.35
Completeness [%]	99.9	99.8
Redundancy	6.6	6.5
CC(1/2)	1.000	0.852

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.1 M HEPES sodium, 2% v/v Polyethylene glycol 400, 2.0 M Ammonium sulfate