7BMH

Crystal structure of a light-driven proton pump LR (Mac) from Leptosphaeria maculans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-28
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	63.540, 70.780, 148.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.920 - 2.200
R-factor	0.2384
Rwork	0.236
R-free	0.28470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1c3w
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.390	49.390	2.270
High resolution limit [Å]	2.200	9.070	2.200
Rmerge	0.172	0.047	0.955
Rmeas	0.193	0.055	1.076
Rpim	0.086	0.029	0.488
Total number of observations	168155	2222	13854
Number of reflections	34762	575	2971
<I/σ(I)>	5.7	15.8	1.4
Completeness [%]	99.8	98.7	99.8
Redundancy	4.8	3.9	4.7
CC(1/2)	0.996	0.998	0.815

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	100 mM HEPES pH 7.0, 4% PEG 3350, 1 M sodium malonate pH 7.0