6F4S

Human JMJD5 (N308C) in complex with Mn(II), 2OG and RCCD1 (139-143) (complex-4)

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	2017-07-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	49.321, 65.607, 77.691
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.426 - 1.461
R-factor	0.1375
Rwork	0.137
R-free	0.15200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6f4r
RMSD bond length	0.008
RMSD bond angle	0.962
Data reduction software	HKL-2000 (706E)
Data scaling software	HKL-2000 (706E)
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.430	1.490
High resolution limit [Å]	1.460	1.460
Rmerge	0.113	1.300
Rpim	0.050	0.602
Number of reflections	44375	2928
<I/σ(I)>	17	2
Completeness [%]	99.9	99.8
Redundancy	7	7
CC(1/2)	0.997	0.602

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.1M Bis-Tris pH 6.5, 29 % PEG3350, 0.002 M MnCl2, 300 nl sitting drops (sample:well, 1:2 ratio)