7O8Y

Anomalous bromide substructure of NmHR under dark state conditions determined at 13.7 keV with serial crystallography

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	298
Detector technology	PIXEL
Collection date	2019-10-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.905
Spacegroup name	C 1 2 1
Unit cell lengths	104.480, 51.180, 78.330
Unit cell angles	90.00, 131.78, 90.00

Refinement procedure

Resolution	52.240 - 1.750
R-factor	0.1697
Rwork	0.169
R-free	0.19180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5b2n
Data reduction software	CrystFEL (v0.9.0)
Data scaling software	CrystFEL (v0.9.0)
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.240	1.780
High resolution limit [Å]	1.750	1.750
Number of reflections	60934	4944
<I/σ(I)>	11.9
Completeness [%]	99.8
Redundancy	270
CC(1/2)	1.000	0.300

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	4.5	293	50 mM sodium acetate (pH 4.5), 150 mM MgBr2, 100 mM NaBr, 34% PEG400