7Q35

Crystal structure of the mutant bacteriorhodopsin pressurized with krypton

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.8634
Spacegroup name	C 2 2 2
Unit cell lengths	115.330, 119.986, 36.461
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.610 - 2.000
R-factor	0.17238
Rwork	0.169
R-free	0.23199
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xxj
RMSD bond length	0.010
RMSD bond angle	1.489
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.000	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.142
Rmeas	0.149	1.860
Number of reflections	33739	4700
<I/σ(I)>	9.09	1.49
Completeness [%]	99.7	99.8
Redundancy	6.7	6.7
CC(1/2)	0.998	0.517

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	3.0 M Ammonium Sulfate,0.1 M Sodium Acetate, pH 4.6