4QQN

Protein arginine methyltransferase 3 in complex with compound MTV044246

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97904
Spacegroup name	P 43 21 2
Unit cell lengths	70.319, 70.319, 172.918
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.080
R-factor	0.1839
Rwork	0.183
R-free	0.21160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hsg
RMSD bond length	0.008
RMSD bond angle	1.231
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	MOLREP (11.1.03)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.120
High resolution limit [Å]	2.080	5.640	2.080
Rmerge	0.077	0.025	0.704
Number of reflections	27071
<I/σ(I)>	25.4
Completeness [%]	100.0	99.5	99.9
Redundancy	6	5.5	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	30% PEG 4000, 0.2 M MgCl2, 0.1 M Tris HCL pH8.5, vapor diffusion hanging drop, temperature 293K