6I9L

JmjC domain-containing protein 5 (JMJD5) in complex with Mn and pyridine-2,4-dicarboxylic acid (2,4-PDCA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-03-05
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.91741
Spacegroup name	P 21 21 21
Unit cell lengths	49.591, 64.809, 77.914
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.836 - 1.530
R-factor	0.1473
Rwork	0.146
R-free	0.16380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gjz
RMSD bond length	0.008
RMSD bond angle	0.949
Data reduction software	HKL-2000 (706E)
Data scaling software	HKL-2000 (706E)
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.836	1.580
High resolution limit [Å]	1.530	1.530
Rmerge	0.119	0.550
Rmeas	0.130	0.605
Rpim	0.052	0.247
Number of reflections	38444	3781
<I/σ(I)>	17.64	6.56
Completeness [%]	99.6	99.7
Redundancy	6.2	5.9
CC(1/2)	0.990	0.898

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M BIS-TRIS PH 6.5, 15.0 % PEG3350, 0.002 M MNCL2, 300 NL SITTING DROPS (SAMPLE:WELL, 2:1 RATIO)