1IW6

Crystal Structure of the Ground State of Bacteriorhodopsin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2001-05-04
Detector	MARRESEARCH
Wavelength(s)	1.0
Spacegroup name	P 6 2 2
Unit cell lengths	102.400, 102.400, 112.100
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.400 - 2.300
R-factor	0.251
Rwork	0.251
R-free	0.27100 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qm8
RMSD bond length	0.008
RMSD bond angle	17.700 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.400	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.079	0.048 *
Number of reflections	15703
<I/σ(I)>	5.9	1.6
Completeness [%]	99.7	99.7
Redundancy	11.6	11.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.2	10 *	ammonium sulfate, pH 5.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	octyl glucoside	2.5 (mg/ml)
2	1	drop	ammonium sulfate	1.0 (M)
3	1	drop		0.16 (M)
4	1	drop	trehalose	12 (%(w/v))
5	1	drop		0.04 (%(w/v))
6	1	drop	sodium citrate	0.08 (M)	pH5.2
7	1	reservoir	ammonium sulfate	1.9-2.0 (M)