6IP4

Crystal structure of Arabidopsis thaliana JMJ13 catalytic domain in complex with NOG and an H3K27me3 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97776
Spacegroup name	P 62 2 2
Unit cell lengths	128.794, 128.794, 230.642
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.367 - 2.600
R-factor	0.2146
Rwork	0.213
R-free	0.24650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ip0
RMSD bond length	0.010
RMSD bond angle	1.302
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.083	0.868
Rmeas	0.091	0.953
Number of reflections	33189	3316
<I/σ(I)>	20.93	1.97
Completeness [%]	93.2	95.1
Redundancy	5.7	6
CC(1/2)		0.615

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.1M MES, pH 6.5, 8% dioxane, and 1.6M ammonium sulfate