2X9H

CRYSTAL STRUCTURE OF MYOSIN-2 MOTOR DOMAIN IN COMPLEX WITH ADP- METAVANADATE AND PENTACHLOROCARBAZOLE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	77
Detector technology	CCD
Collection date	2010-02-24
Detector	ADSC CCD
Spacegroup name	C 2 2 21
Unit cell lengths	89.160, 146.630, 153.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.770 - 2.700
R-factor	0.20751
Rwork	0.203
R-free	0.28871
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2jhr
Data reduction software	XDS
Data scaling software	XDS
Phasing software	ARP (WARP CNS REFMAC)
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.770	2.769
High resolution limit [Å]	2.700	2.700
Rmerge	0.400
Number of reflections	26158
<I/σ(I)>	2.4
Completeness [%]	100.0	100
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.4		50 MM TRIS-HCL PH 7.4, 140 MM NACL, 9% W/V PEG8000, 2% (V/V) MPD, 5 MM MGCL2, 5 MM DTT, 1 MM EGTA