1G8X

STRUCTURE OF A GENETICALLY ENGINEERED MOLECULAR MOTOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID13
Synchrotron site	ESRF
Beamline	ID13
Temperature [K]	100
Detector technology	CCD
Collection date	1999-01-01
Detector	MARRESEARCH
Wavelength(s)	1.000
Spacegroup name	P 21 21 2
Unit cell lengths	135.423, 155.420, 143.191
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.150 - 2.800
R-factor	0.232
Rwork	0.232
R-free	0.29000
RMSD bond length	0.008
RMSD bond angle	1.300
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000 *
High resolution limit [Å]	2.800 *	2.800 *
Rmerge	0.110 *	0.324 *
Number of reflections	73355 *
Completeness [%]	97.7 *	98 *
Redundancy	3.8 *	3.9 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.3 *	7 *	12% PEGM 5000; 170 mM NaCl; 50 mM HEPES (NaOH) pH 7.2; 5 mM MgCl2; 5 mM DTT; 0.5 mM EGTA; and 2% 2-methyl-1,3-propanediol, at 280 K, VAPOR DIFFUSION, SITTING DROP

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
10	1	reservoir	HEPES-NaOH	50 (mM)
11	1	reservoir		5 (mM)
12	1	reservoir	dithiothreitol	5 (mM)
13	1	reservoir	EGTA	0.5 (mM)
14	1	reservoir	2-methyl-1,3-propanediol	2 (%)
2	1	drop	HEPES-NaOH	30 (mM)
3	1	drop	EDTA	0.5 (mM)
4	1	drop	dithiothreitol	2 (mM)
5	1	drop	benzamidine	1 (mM)
6	1	drop		1 (mM)
7	1	drop	sucrose	3 (%)
8	1	reservoir	mPEG5000	12 (%)
9	1	reservoir		170 (mM)