1G3R

CRYSTAL STRUCTURE ANALYSIS OF PYROCOCCUS FURIOSUS CELL DIVISION ATPASE MIND

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-09-16
Detector	MACSCIENCE
Wavelength(s)	1.5418
Spacegroup name	P 21 3
Unit cell lengths	98.644, 98.644, 98.644
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.700 * - 2.700
R-factor	0.209
Rwork	0.209
R-free	0.25100
RMSD bond length	0.006
RMSD bond angle	22.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.700
High resolution limit [Å]	2.700	2.700
Rmerge	0.038	0.217
Number of reflections	8972
Completeness [%]	99.4	95.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	20 *	MPD, sodium cacodylate, MgCl2, pH 6.0. VAPOR DIFFUSION, HANGING DROP at 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium cacodylate	0.1 (M)
2	1	reservoir	MPD	8 (%)
3	1	reservoir		0.2 (M)