1JV6

BACTERIORHODOPSIN D85S/F219L DOUBLE MUTANT AT 2.00 ANGSTROM RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	1999-04-07
Detector	ADSC QUANTUM
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	51.800, 121.300, 85.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.000 - 2.000
R-factor	0.222 *
Rwork	0.222
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1JV7 (Bacteriorhodopsin D85S coordinates without diether lipids nor water)
RMSD bond length	0.006
RMSD bond angle	1.103
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000 *	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.077 *	0.558 *
Total number of observations	152520 *
Number of reflections	14934
<I/σ(I)>	14.4	2.6
Completeness [%]	79.8	70.8 *
Redundancy	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	cubic lipid phase	5.6	20 *	Landau, E.M., (1996) Proc.Natl.Acad.Sci.USA., 93, 14532. *
1	cubic lipid phase	5.6	20 *	Landau, E.M., (1996) Proc.Natl.Acad.Sci.USA., 93, 14532. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	sodium potassium Pi	3.3 (M)
2	1	1	protein	3.5 (mg/ml)
3	1	1	methylpentandiol	0.05 (%)
4	1	1	beta-octylglycopyranoside	1.2 (%)