2JAG

L1-intermediate of halorhodopsin T203V

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	H 3 2
Unit cell lengths	95.042, 95.042, 157.674
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.930
R-factor	0.2373
Rwork	0.237
R-free	0.26080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e12
RMSD bond length	0.015
RMSD bond angle	1.400
Data reduction software	XDS
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000
High resolution limit [Å]	1.800
Rmerge	0.120	0.450
Number of reflections	23209
<I/σ(I)>	17.1	3.2
Completeness [%]	87.8	73.1
Redundancy	8.5	8.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1