5AHY

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	2012-07-24
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	H 3 2
Unit cell lengths	103.651, 103.651, 138.588
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.699 - 2.150
R-factor	0.1873
Rwork	0.185
R-free	0.22720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e12
RMSD bond length	0.008
RMSD bond angle	1.071
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.700	2.230
High resolution limit [Å]	2.150	2.150
Rmerge	0.090	0.760
Number of reflections	15809
<I/σ(I)>	14.9	2.1
Completeness [%]	99.9	99.7
Redundancy	4.9	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		296	RESERVOIR SOLUTION: 100 MM CITRATE PH 8, 150 MM NACL, 2.1-2.4 M (NH4)2SO4. VAPOR DIFFUSION AT 296 K WITH DROP RATIO OF 1.2 TO 0.8 UL PROTEIN TO RESERVOIR. PROTEIN CONCENTRATION 6 MG/ML.