1L2P

ATP Synthase b Subunit Dimerization Domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	2000-08-20
Detector	ADSC QUANTUM 4
Wavelength(s)	0.99203
Spacegroup name	P 21 21 2
Unit cell lengths	35.700, 40.760, 42.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.400 * - 1.550
R-factor	0.282 *
Rwork	0.282
R-free	0.31300
Structure solution method	MIR
RMSD bond length	0.005
RMSD bond angle	13.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.610
High resolution limit [Å]	1.550	1.550
Rmerge	0.027	0.117
Number of reflections	9455 *
<I/σ(I)>	25.1
Completeness [%]	93.5 *	83.1 *
Redundancy	5.4	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	291	30% ISOPROPANOL, 45% 2-METHYL-2,4-PENTANEDIOL, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 18.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	25 (mg/ml)
2	1	reservoir	2-propanol	45 (%)
3	1	reservoir	MPD	30 (%)