2Y1W

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 ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2006-09-01
Detector	ADSC QUANTUM 315r
Spacegroup name	P 21 21 2
Unit cell lengths	74.896, 98.471, 207.184
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.880 - 2.100
R-factor	0.205
Rwork	0.205
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (NULL)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.080	0.490
Number of reflections	77014
<I/σ(I)>	14.1	1.7
Completeness [%]	85.4	30
Redundancy	3.7

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.