7ZYB

BeKdgF with Ca

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-31
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9677
Spacegroup name	P 62 2 2
Unit cell lengths	47.374, 47.374, 175.859
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.030 - 1.500
R-factor	0.1744
Rwork	0.173
R-free	0.20080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fpx
RMSD bond length	0.022
RMSD bond angle	1.786
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.18_3861)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.030	1.554
High resolution limit [Å]	1.500	1.500
Rmerge	0.053	2.167
Rmeas	0.055	2.431
Rpim	0.014	1.069
Number of reflections	19628	1845
<I/σ(I)>	20.91	0.62
Completeness [%]	98.8	95.32
Redundancy	13.3	4.8
CC(1/2)	0.999	0.808

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	80mM MES pH 6.5, 14.4% (w/v) PEG8000, 20% v/v glycerol, 160mM calcium acetate