3QBI

Crystal structure of an anion-free yellow form of pharaonis halorhodopsin

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	2010-10-10
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	153.960, 97.970, 100.650
Unit cell angles	90.00, 128.68, 90.00

Refinement procedure

Resolution	15.000 - 2.100
R-factor	0.235
Rwork	0.235
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3a7k
RMSD bond length	0.006
RMSD bond angle	1.107
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.900	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.102	0.540
Number of reflections	67414
<I/σ(I)>	9.5	1.4
Completeness [%]	99.2	99.2
Redundancy	3.2	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING 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, 0.2 M glycine (pH10.0), 30% trehalose , pH 9, VAPOR DIFFUSION, HANGING DROP, temperature 288K