5PHJ

PanDDA analysis group deposition -- Crystal Structure of JMJD2D in complex with N09400a

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	2012-12-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97630
Spacegroup name	P 43 21 2
Unit cell lengths	71.730, 71.730, 150.648
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.510 - 1.150
R-factor	0.14
Rwork	0.139
R-free	0.16760
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4d6r
RMSD bond length	0.007
RMSD bond angle	1.221
Data reduction software	XDS
Data scaling software	Aimless (0.1.27)
Phasing software	REFMAC
Refinement software	PHENIX (1.9_1682)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.510	29.510	1.170
High resolution limit [Å]	1.150	6.300	1.150
Rmerge	0.126	0.116	0.441
Rmeas	0.132	0.121	0.588
Rpim	0.037	0.034	0.383
Total number of observations	1294970	12555	3404
Number of reflections	127312
<I/σ(I)>	11.7	23.6	1.5
Completeness [%]	91.0	99.1	27.4
Redundancy	10.2	12.4	1.8
CC(1/2)	0.995	0.989	0.675

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	28% PEG3350 -- 0.1M HEPES pH 7.0 -- 0.25M ammonium sulfate