1Q5J

Crystal structure of bacteriorhodopsin mutant P91A crystallized from bicelles

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2003-03-28
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	44.527, 108.300, 55.818
Unit cell angles	90.00, 113.41, 90.00

Refinement procedure

Resolution	500.000 - 2.100
R-factor	0.218
Rwork	0.216
R-free	0.26700 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1py6
RMSD bond length	0.010
RMSD bond angle	18.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	500.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.056
Number of reflections	26254
<I/σ(I)>	14
Completeness [%]	92.2	90.2
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	3.7	310	DMPC, CHAPSO, sodium phosphate, hexanediol, pH 3.7, VAPOR DIFFUSION, HANGING DROP, temperature 310K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir		2 (M)	pH3.7
2	1	reservoir	hexanediol	0.09 (M)