6RF9

Crystal structure of the Y154F mutant of the light-driven sodium pump KR2 in the monomeric form, pH 8.0

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	2018-04-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.972
Spacegroup name	I 2 2 2
Unit cell lengths	40.472, 81.851, 233.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.939 - 1.800
R-factor	0.1653
Rwork	0.163
R-free	0.20340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xtl
Data reduction software	XDS
Data scaling software	Aimless (0.6.3)
Phasing software	MOLREP
Refinement software	PHENIX (1.13_2998: ???)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.930	40.930	1.840
High resolution limit [Å]	1.800	9.000	1.800
Rmerge	0.061	0.040	0.870
Rmeas	0.069	0.045	0.972
Rpim	0.031	0.021	0.428
Total number of observations	181740	1524	11212
Number of reflections	36488	342	2168
<I/σ(I)>	13.2	39.5	1.7
Completeness [%]	99.6	98.1	99.6
Redundancy	5	4.5	5.2
CC(1/2)	0.998	0.996	0.885

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	2.0 M Sodium Malonate, pH 8.0