7EQV

Crystal structure of JMJD2A complexed with 3,4-dihydroxybenzoic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	110
Detector technology	CCD
Collection date	2018-12-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97622
Spacegroup name	P 31 2 1
Unit cell lengths	149.396, 149.396, 62.175
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.600
R-factor	0.1706
Rwork	0.168
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bis
RMSD bond length	0.019
RMSD bond angle	1.959
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0218)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	129.380	30.000	2.690
High resolution limit [Å]	2.600	5.590	2.600
Rmerge	0.070	0.030	0.687
Rmeas	0.072	0.031	0.716
Rpim	0.017	0.007	0.192
Number of reflections	24683	2580	2352
<I/σ(I)>	13.8
Completeness [%]	99.6	99.9	96.1
Redundancy	17.8	17.3	12
CC(1/2)		1.000	0.908

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	15% PEG3350, 0.1 M HEPES pH 7.5, 0.2M NaCl, 277 K, VAPOR DIFFUSION, HANGING DROP