1IXF

Crystal Structure of the K intermediate of bacteriorhodopsin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-12-07
Detector	MACSCIENCE
Wavelength(s)	1.0
Spacegroup name	P 6 2 2
Unit cell lengths	102.300, 102.300, 112.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.600
Rwork	0.291
R-free	0.28700 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1iw6
RMSD bond length	0.013
RMSD bond angle	1.430 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.740
High resolution limit [Å]	2.600	2.600
Rmerge	0.080	0.533
Number of reflections	11141 *
<I/σ(I)>	7.8	1.4
Completeness [%]	99.9 *	99.9 *
Redundancy	13.8	14.2

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)