1Q5I

Crystal structure of bacteriorhodopsin mutant P186A 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	2003-05-22
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	44.629, 108.721, 56.093
Unit cell angles	90.00, 113.46, 90.00

Refinement procedure

Resolution	500.000 - 2.300
R-factor	0.198
Rwork	0.194
R-free	0.25500 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1py6
RMSD bond length	0.008
RMSD bond angle	1.200
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	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.116
Number of reflections	24112
<I/σ(I)>	23
Completeness [%]	96.6	92.4
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	3.7 *	310	DMPC, CHAPSO, sodium phosphate, hexanediol, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 310.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir		2 (M)	pH4.5
2	1	reservoir		0.8 (M)	pH3.7
3	1	reservoir	hexanediol	0.09 (M)