3ABW

Crystal structure of pharaonis halorhodopsin in complex with azide ion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-14
Detector	RIGAKU JUPITER 210
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	152.090, 98.790, 100.140
Unit cell angles	90.00, 127.85, 90.00

Refinement procedure

Resolution	15.000 - 1.900
Rwork	0.242
R-free	0.26260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3a7k
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.150	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.071	0.526
Number of reflections	80799
<I/σ(I)>	10.5	2.2
Completeness [%]	88.0	74.3
Redundancy	3.2	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	288	A DROP CONTAINING 2MG/ML Halorhodopsin, 1M AMMONIUM SULFATE, 0.16M NACL, 0.04M Na-citrate, 0.04% NAN3,5MG/ML NONYL GLUCOSIDE WAS CONCENTRATED BY VAPOR DIFFUSIONAGAINST A RESERVE SOLUTION CONTAINING 2.9 M AMMONIUM SULFATE, 0.04M Na-citrate, PH 6, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 288K. After the crystal grew, the mother solution was exchanged with a solution containing 3M Ammonium sulfate, 200 mM Na-N3, 100 mM HEPES (pH7) and 30 % trehalose.