5NR3

Human DNMT3B PWWP domain in complex with ethambutol

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	2015-09-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9801
Spacegroup name	P 32 2 1
Unit cell lengths	74.200, 74.200, 155.800
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.391 - 2.300
R-factor	0.1982
Rwork	0.196
R-free	0.23790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qkj
RMSD bond length	0.008
RMSD bond angle	1.125
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]	40.391	2.430
High resolution limit [Å]	2.300	2.300
Rmerge	0.078	0.873
Number of reflections	22766	3549
<I/σ(I)>	27	3.87
Completeness [%]	99.7	98.6
Redundancy	9.6	9.4
CC(1/2)	0.999	0.883

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