7YXK

Drosophila melanogaster JMJD7 (dmJMJD7) in complex with Mn and N-oxalyl-D-alanine (NODA)

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	55.384, 64.568, 99.559
Unit cell angles	90.00, 100.97, 90.00

Refinement procedure

Resolution	48.870 - 2.430
R-factor	0.2062
Rwork	0.204
R-free	0.24120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7yxg
RMSD bond length	0.006
RMSD bond angle	0.832
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	2.520
High resolution limit [Å]	2.430	5.230	2.430
Rmeas	0.226	0.103
Rpim	0.114	0.046	0.523
Number of reflections	26191	2717	2574
<I/σ(I)>	6.333		1.111
Completeness [%]	99.8	100	98.8
Redundancy	4.7	4.9	3.9
CC(1/2)	0.991	0.990	0.520

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.