7UQ3

JmjC domain-containing protein 5 (JMJD5) in complex with Mn and (S)-2-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)acetic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98000
Spacegroup name	P 21 21 21
Unit cell lengths	49.479, 64.690, 78.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.853 - 1.490
R-factor	0.1347
Rwork	0.134
R-free	0.13490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gjz
Data reduction software	MOSFLM
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	78.230	78.230	1.520
High resolution limit [Å]	1.490	8.160	1.490
Rmeas	0.107	0.112	0.888
Rpim	0.040	0.041	0.330
Number of reflections	41815	316	2058
<I/σ(I)>	11
Completeness [%]	100.0	99.5	100
Redundancy	7	6.5	7
CC(1/2)	0.996	0.991	0.785

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	Sample: 22 mg/mL JMJD5, 1.5 mM MnCl2, 5 mM compound (IS-52); Reservoir: 0.1 M Bis-Tris pH 6.5, 15.0 % PEG3350, 0.002 M MnCl2; Cryo-protection: 25% (v/v) glycerol; Method: 300 nL sitting drops (sample:well, 2:1 ratio)