7YXI

Drosophila melanogaster JMJD7 (dmJMJD7) in complex with Mn and N-oxalylglycine (NOG)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-23
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97950
Spacegroup name	P 1 21 1
Unit cell lengths	55.688, 64.930, 103.150
Unit cell angles	90.00, 102.63, 90.00

Refinement procedure

Resolution	43.969 - 2.100
R-factor	0.1732
Rwork	0.172
R-free	0.20340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7yxg
RMSD bond length	0.012
RMSD bond angle	1.136
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	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmeas	0.142	0.056	0.940
Rpim	0.063	0.025	0.420
Number of reflections	42025	4325	4163
<I/σ(I)>	4.9
Completeness [%]	99.9	99.8	99.5
Redundancy	5	5	4.9
CC(1/2)	0.996	0.996	0.541

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.