7YXH

Drosophila melanogaster JMJD7 (dmJMJD7) in complex with Mn and succinate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-05
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.96863
Spacegroup name	P 1 21 1
Unit cell lengths	54.630, 65.334, 103.671
Unit cell angles	90.00, 101.73, 90.00

Refinement procedure

Resolution	53.489 - 2.300
R-factor	0.1978
Rwork	0.196
R-free	0.22840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7yxg
RMSD bond length	0.005
RMSD bond angle	0.783
Data reduction software	HKL-2000
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	101.506	65.334	2.420
High resolution limit [Å]	2.300	7.270	2.300
Rmeas	0.127	0.058	1.174
Rpim	0.056	0.026	0.512
Number of reflections	31994	1067	4630
<I/σ(I)>	8.3	10.2	0.7
Completeness [%]	99.9	99.6	100
Redundancy	5	4.5	5.1
CC(1/2)	0.996		0.527

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.