2YBP

JMJD2A COMPLEXED WITH R-2-HYDROXYGLUTARATE AND HISTONE H3K36me3 PEPTIDE (30-41)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-24
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 2
Unit cell lengths	101.291, 149.668, 57.319
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.510 - 2.020
R-factor	0.201
Rwork	0.201
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ox0
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.510	2.060
High resolution limit [Å]	2.020	2.020
Rmerge	0.090	0.660
Number of reflections	63521
<I/σ(I)>	20.4	2.2
Completeness [%]	98.7	97.2
Redundancy	4.3	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	0.1M CITRATE PH 5.5, 4 MM NICL2, 20% PEG 3350, VAPOUR DIFFUSION, SITTING DROP, TEMPERATURE 277K.