7ZNI

Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the activated state at pH 8.2 at room temperature, 7.5-15-ms-snapshot

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	293
Detector technology	PIXEL
Collection date	2021-11-05
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	71.500, 111.500, 119.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.185
Rwork	0.184
R-free	0.21390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xio
RMSD bond length	0.010
RMSD bond angle	1.428
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.800	2.280
High resolution limit [Å]	2.200	2.200
Number of reflections	50244	4849
<I/σ(I)>	4.5
Completeness [%]	100.0
Redundancy	177.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	0.8 M Na/K-Pi pH 8.2