5AHZ

Bromide-bound form of Halorhodopsin from Halobacterium salinarum in a new rhombohedral crystal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-22
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	H 3 2
Unit cell lengths	104.040, 104.040, 138.310
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.836 - 2.450
R-factor	0.1903
Rwork	0.188
R-free	0.23980
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	ISOMORPHOUS STRUCTURE OF CHLORIDE-BOUND HALORHODOPSIN PDB ID 5AHY
RMSD bond length	0.009
RMSD bond angle	1.152
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.800	2.540
High resolution limit [Å]	2.450	2.450
Rmerge	0.120	1.060
Number of reflections	10814
<I/σ(I)>	14.3	1.98
Completeness [%]	100.0	100
Redundancy	6.2	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		296	RESERVOIR SOLUTION: 100 MM CITRATE PH 8, 150 MM NABR, 2.3 M (NH4)2SO4. VAPOR DIFFUSION AT 296 K WITH DROP RATIO OF 1.2 TO 0.8 UL PROTEIN TO RESERVOIR. PROTEIN CONCENTRATION 7 MG/ML.