1BR1

SMOOTH MUSCLE MYOSIN MOTOR DOMAIN-ESSENTIAL LIGHT CHAIN COMPLEX WITH MGADP.ALF4 BOUND AT THE ACTIVE SITE

Experimental procedure

Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	1997-05
Spacegroup name	P 1
Unit cell lengths	95.320, 144.660, 147.290
Unit cell angles	111.21, 106.10, 92.58

Refinement procedure

Resolution	10.000 - 3.500
R-factor	0.227
Rwork	0.227
R-free	0.30500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SMOOTH MUSCLE MYOSIN MOTOR DOMAIN
RMSD bond length	0.010
RMSD bond angle	27.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.820
High resolution limit [Å]	3.500	3.500
Rmerge	0.088 *	0.301 *
Total number of observations	375967 *
Number of reflections	79993
<I/σ(I)>	21.6	9.8
Completeness [%]	91.7	90.2
Redundancy	4.7	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.2	4 *	1.8M AMMONIUM SULFATE 100MM HEPES PH 7.2 2MM MGADP 2MM AL(NO3)3 8MM NAF PROTEIN CONCENTRATION: 10MG/ML TEMPERATURE: 4 DEGREES CENTIGRADE, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	MgADP	2 (mM)
3	1	drop	beryllium(SIGMA)	2 (mM)
4	1	drop		8 (mM)
5	1	reservoir	ammonium sulfate	1.8 (M)
6	1	reservoir	HEPES	100 (mM)