1JV7

BACTERIORHODOPSIN O-LIKE INTERMEDIATE STATE OF THE D85S MUTANT AT 2.25 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	1998-10-16
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 - 2.250
R-factor	0.213 *
Rwork	0.213
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1brx
RMSD bond length	0.008
RMSD bond angle	1.108
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 *	2.280
High resolution limit [Å]	2.200	2.250
Rmerge	0.056	0.553
Total number of observations	164767 *
Number of reflections	11949
<I/σ(I)>	9.6	2.2
Completeness [%]	91.5	94.7
Redundancy	13	4.1

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 (%)