2Y1X

CRYSTAL STRUCTURE OF COACTIVATOR ASSOCIATED ARGININE METHYLTRANSFERASE 1 (CARM1) IN COMPLEX WITH SINEFUNGIN AND INDOLE INHIBITOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-03-01
Detector	ADSC QUANTUM 210
Spacegroup name	P 21 21 2
Unit cell lengths	75.558, 98.757, 207.456
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.960 - 2.400
R-factor	0.21
Rwork	0.207
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	INTERNAL STRUCTURE OF CARM1
RMSD bond length	0.010
RMSD bond angle	1.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNX (2005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.120	0.600
Number of reflections	61230
<I/σ(I)>	9.41	2.1
Completeness [%]	99.4	99.9
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5		20-30% PEG 2000K, 0.1 M TRIS-HCL PH 8.5, 0.2 M TRIMETHYLAMINE N-OXIDE DIHYDRATE