5NRV

Human DNMT3B PWWP domain in complex with 6-dipropylamino-1-hexanol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-09-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9801
Spacegroup name	P 32 2 1
Unit cell lengths	73.550, 73.550, 155.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.173 - 2.075
R-factor	0.2089
Rwork	0.207
R-free	0.24350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qkj
RMSD bond length	0.007
RMSD bond angle	1.097
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]	40.173	2.210
High resolution limit [Å]	2.070	2.070
Rmerge	0.052	0.658
Number of reflections	30107	4748
<I/σ(I)>	21.38	3.17
Completeness [%]	99.8	99.2
Redundancy	7.3	7.3
CC(1/2)	0.999	0.862

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M MES,0.2 M Li2SO4, 23-33% PEG 3350