4WAV

Crystal Structure of Haloquadratum walsbyi bacteriorhodopsin mutant D93N

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	OTHER
Synchrotron site	NSRRC
Beamline	BL15A
Temperature [K]	110
Detector technology	CCD
Collection date	2013-08-03
Detector	RAYONIX MX300HE
Wavelength(s)	1.000
Spacegroup name	C 2 2 21
Unit cell lengths	29.860, 131.942, 235.423
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.120 - 2.800
R-factor	0.1844
Rwork	0.182
R-free	0.23920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vgo
RMSD bond length	0.012
RMSD bond angle	1.514
Data reduction software	Blu-Ice
Data scaling software	HKL-2000
Phasing software	MOLREP (11.0.05)
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.850
High resolution limit [Å]	2.800	7.560	2.800
Rmerge	0.149	0.023	0.972
Total number of observations	72386
Number of reflections	11796
<I/σ(I)>	5.7
Completeness [%]	97.2	98.7	98
Redundancy	6.1	5.8	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	7	293	calcium chloride, HEPES, PEG 400