7YXG

Drosophila melanogaster JMJD7 (dmJMJD7) in complex with Mn and 2OG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-11
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979450
Spacegroup name	P 1 21 1
Unit cell lengths	73.325, 62.856, 99.001
Unit cell angles	90.00, 109.06, 90.00

Refinement procedure

Resolution	45.893 - 1.641
R-factor	0.163
Rwork	0.162
R-free	0.18600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nfo
RMSD bond length	0.011
RMSD bond angle	1.119
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.680
High resolution limit [Å]	1.640	4.040	1.640
Rmeas	0.085	0.057
Rpim	0.041	0.025	0.808
Number of reflections	103935	7087	6886
<I/σ(I)>	18		1.2
Completeness [%]	99.8	99.3	99.9
Redundancy	4.8	4.6	4.8
CC(1/2)	0.996	0.996	0.580

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.4	298	Sample: 16.0 mg/ml dmJMJD7 (in 50 mM Hepes-Na pH 7.5, 200 mM NaCl, 5% glycerol), 2.0 mM MnCl2 and 4.0 mM compound. Reservoir: 0.1 M Bis-Tris pH 5.4, 0.3 M magnesium chloride, 0.1 M ammonium acetate (or alternatively, 0.1 M barium chloride), and 0.002 M manganese chloride. Cryo-protection: 20% v/v ethylene glycol.