5LY2

JMJD2A/ KDM4A COMPLEXED WITH NI(II), NOG AND Macrocyclic PEPTIDE Inhibitor CP2_R6Kme3 (13-mer)

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	2014-05-20
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9200
Spacegroup name	P 1 21 1
Unit cell lengths	58.306, 103.747, 142.367
Unit cell angles	90.00, 99.14, 90.00

Refinement procedure

Resolution	48.670 - 2.430
R-factor	0.22
Rwork	0.219
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ox0
RMSD bond length	0.005
RMSD bond angle	1.261
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]	48.665	2.470
High resolution limit [Å]	2.430	2.430
Rmerge	0.138	0.646
Number of reflections	62112
<I/σ(I)>	9.4167	2
Completeness [%]	98.3	95
Redundancy	4.4	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	277	0.1 M bicine pH 9.0 and 10% w/v polyethylene glycol 6000