6XCG

Histone-lysine N-methyltransferase NSD2-PWWP1 with compound UNC6934

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E
Temperature [K]	100
Detector technology	CCD
Collection date	2019-05-22
Detector	RIGAKU SATURN A200
Wavelength(s)	1.54178
Spacegroup name	P 1
Unit cell lengths	49.566, 49.978, 51.179
Unit cell angles	91.35, 91.88, 118.27

Refinement procedure

Resolution	25.560 - 1.640
R-factor	0.1789
Rwork	0.178
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vc8
RMSD bond length	0.011
RMSD bond angle	1.434
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.670
High resolution limit [Å]	1.640	4.450	1.640
Rmerge	0.053	0.032	0.436
Rmeas	0.059	0.036	0.538
Rpim	0.026	0.016	0.307
Total number of observations	246572
Number of reflections	49043	2617	2272
<I/σ(I)>	14.6
Completeness [%]	92.7	98.4	86.5
Redundancy	5	5.1	2.6
CC(1/2)		0.999	0.763

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	1.6 M ammonium sulfate, 0.01 M magnesium chloride, 0.1 M HEPES, pH 7.5