6DQ4

LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR GSK-J1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-11
Detector	RAYONIX MX300HE
Wavelength(s)	1.00000
Spacegroup name	C 1 2 1
Unit cell lengths	118.108, 62.144, 46.800
Unit cell angles	90.00, 92.62, 90.00

Refinement procedure

Resolution	33.232 - 1.392
R-factor	0.1841
Rwork	0.183
R-free	0.21620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ivb
RMSD bond length	0.002
RMSD bond angle	0.591
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.232	1.440
High resolution limit [Å]	1.390	1.390
Rmerge	0.132	0.775
Rpim	0.051	0.605
Number of reflections	58786	2045
<I/σ(I)>	13.2	1.3
Completeness [%]	86.9	30.3
Redundancy	6.7	1.6
CC(1/2)		0.488

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	1.2-1.35 M (NH4)2SO4, 0.1 M Tris-HCl (pH 8.6-9.2) 0-20% glycerol 25 mM (Na/K) dibasic/monobasic phosphate