1S53

Thr46Ser Bacteriorhodopsin

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	2003-11-16
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	44.667, 108.537, 55.943
Unit cell angles	90.00, 113.48, 90.00

Refinement procedure

Resolution	30.000 - 2.000
R-factor	0.214
Rwork	0.214
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1py6
RMSD bond length	0.016
RMSD bond angle	19.050 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.096
Number of reflections	31117
<I/σ(I)>	14
Completeness [%]	94.3	91
Redundancy	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	3.7	37 *	sodium phosphate, hexanediol, pH 3.7, bicelle hanging drop vapor diffusion, temperature 310K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir		2.6 (M)	pH3.7
2	1	reservoir	HEPES-HCl	0.060 (M)
3	1	drop	protein/bicelle solution	40 (%(w/v))