1F4Z

BACTERIORHODOPSIN-M PHOTOINTERMEDIATE STATE OF THE E204Q MUTANT AT 1.8 ANGSTROM RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-01-05
Detector	ADSC QUANTUM
Spacegroup name	P 63
Unit cell lengths	60.631, 60.631, 108.156
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	12.000 - 1.800
R-factor	0.131 *
Rwork	0.142
R-free	0.20300
Starting model (for MR)	ISOMORPHOUS WITH 1C3W
RMSD bond length	0.009
RMSD bond angle	0.024
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.082	0.446
Total number of observations	214773 *
Number of reflections	21451
<I/σ(I)>	28.2	3.3
Completeness [%]	99.5	95.1
Redundancy	10

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. *
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	lipids	60-70 (%(w/v))
2	1	1	BR	2.5-4.5 (mg/ml)
3	1	1	sodium potassium phosphate	0.7-4.0 (M)
4	1	1	MPD	1.5-3.75 (%)
5	1	1	OG	0.36-0.48 (%)