4FPD

Deprotonation of D96 in bacteriorhodopsin opens the proton uptake pathway

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-01-26
Detector	ADSC QUANTUM 210
Wavelength(s)	1.11588
Spacegroup name	P 63
Unit cell lengths	60.931, 60.931, 107.701
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.950 - 2.650
R-factor	0.243
Rwork	0.223
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kgb
RMSD bond length	0.021
RMSD bond angle	2.500
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.400	2.780
High resolution limit [Å]	2.650	2.650
Number of reflections	6565
<I/σ(I)>		6
Completeness [%]	99.5	97.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	5.5	298	95% MONOMETHYL-DOPE, 5% DOPE-MPEG350, 67% HYDRATION WITH DETERGENT/RETINAL/MEMBRANE SUSPENSION, CONTINUOUS LIPID BI-LAYER GEL, TEMPERATURE 295K, pH 5.5, temperature 298K, EVAPORATION