1PXS

Structure of Met56Ala mutant of Bacteriorhodopsin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	110
Detector technology	CCD
Collection date	2002-08-11
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	44.624, 109.662, 55.873
Unit cell angles	90.00, 113.50, 90.00

Refinement procedure

Resolution	29.760 - 2.200
R-factor	0.1975
Rwork	0.198
R-free	0.25100 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1c3w
RMSD bond length	0.009
RMSD bond angle	18.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.086 *	0.198 *
Number of reflections	22364
Completeness [%]	89.2	65

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.5	37 *	Faham, S., (2002) J. Mol. Biol., 316, 1. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	bR	8.0 (mg/ml)
2	1	drop	bicell	8 (%)
3	1	drop	beta-octylglucoside	2.5 (%)
4	1	reservoir	sodium phosphate	3.2 (M)	pH3.5