3QBG

Anion-free blue form of pharaonis halorhodopsin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-04
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	154.480, 97.820, 101.450
Unit cell angles	90.00, 128.75, 90.00

Refinement procedure

Resolution	15.000 - 1.800
R-factor	0.2281
Rwork	0.228
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3a7k
RMSD bond length	0.005
RMSD bond angle	1.111
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.200	2.010	1.900
High resolution limit [Å]	1.800	1.900	1.800
Rmerge	0.098	0.390	0.630
Number of reflections	97036
<I/σ(I)>	6.2	1.6	2.1
Completeness [%]	89.4		95.7
Redundancy	3.6		3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	288	Crystallization: 3.5 mg/ml halorhodopsin, 5mg/ml nonylglucoside, 2.8M ammonium sulfate, 0.1 M glycine, 0.1M NaCl Post-crystallization soaking: 3 M ammonium sulfate, 0.1 M glycine (pH9.3-->pH8), 30% trehalose, pH 9.0, VAPOR DIFFUSION, SITTING DROP, temperature 288K