7DNB

Crystal structure of PhoCl barrel

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-06
Detector	PSI PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	46.400, 119.640, 65.260
Unit cell angles	90.00, 107.66, 90.00

Refinement procedure

Resolution	43.110 - 2.810
R-factor	0.2808
Rwork	0.275
R-free	0.33540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hqk
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.110	2.920
High resolution limit [Å]	2.810	2.810
Number of reflections	16400	2688
<I/σ(I)>	8.54
Completeness [%]	92.9
Redundancy	2.7
CC(1/2)	0.997	0.811

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.056 M Sodium phosphate monobasic monohydrate, 1.344 M Potassium phosphate dibasic, pH 8.2