7ZNG

Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the ground state at pH 8.2 at room temperature, 500-mks-long snapshots

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	2021-11-25
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	71.910, 111.860, 119.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.300
R-factor	0.2197
Rwork	0.218
R-free	0.25090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xio
RMSD bond length	0.002
RMSD bond angle	1.040
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]	45.960	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	45120	4289
<I/σ(I)>	4
Completeness [%]	100.0
Redundancy	526.2

Crystallization Conditions

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