1G3Q

CRYSTAL STRUCTURE ANALYSIS OF PYROCOCCUS FURIOSUS CELL DIVISION ATPASE MIND

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2000-06-01
Detector	MARRESEARCH
Wavelength(s)	0.710
Spacegroup name	P 21 3
Unit cell lengths	96.040, 96.040, 96.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.600 * - 2.000
R-factor	0.213
Rwork	0.213
R-free	0.23600
Structure solution method	MIR
RMSD bond length	0.005
RMSD bond angle	22.300 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	SHARP
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.200 *	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.078	0.240
Number of reflections	20215
<I/σ(I)>	4.5
Completeness [%]	100.0	100 *
Redundancy	11	11.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	20 *	MPD, sodium citrate, MgCl2, pH 5.5. Vapor diffusion, hanging drop at 293K, VAPOR DIFFUSION, HANGING DROP

Crystallization Reagents in Literatures

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