4IKP

Crystal structure of coactivator-associated arginine methyltransferase 1 with methylenesinefungin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03321
Spacegroup name	P 21 21 2
Unit cell lengths	75.060, 98.844, 206.628
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.110 - 2.000
R-factor	0.204
Rwork	0.203
R-free	0.23130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2v74
RMSD bond length	0.007
RMSD bond angle	1.127
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.086	0.039	0.580
Number of reflections	104330
<I/σ(I)>	30.4
Completeness [%]	99.8	99.2	98.1
Redundancy	8.1	7.7	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	20% PEG 3350, 0.2 M Di-AMMONIUM TARTRATE, vapor diffusion, hanging drop, temperature 291K