1CWQ

M INTERMEDIATE STRUCTURE OF THE WILD TYPE BACTERIORHODOPSIN IN COMBINATION WITH THE GROUND STATE STRUCTURE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-11-09
Detector	MARRESEARCH
Spacegroup name	P 63
Unit cell lengths	61.080, 61.080, 110.400
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	13.000 - 2.250
R-factor	0.179 *
Rwork	0.167
R-free	0.20800 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.320
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS (0.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.082 *
Number of reflections	10792
<I/σ(I)>	12.05	3.4
Completeness [%]	97.2	99.4
Redundancy	2	2

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. *

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 (%)