7ZYC

BeKdgF with Zn

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]	100
Detector technology	PIXEL
Collection date	2019-07-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	P 62 2 2
Unit cell lengths	46.660, 46.660, 176.960
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.410 - 2.000
R-factor	0.2312
Rwork	0.228
R-free	0.25970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fpx
RMSD bond length	0.009
RMSD bond angle	0.864
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]	40.410	2.072
High resolution limit [Å]	2.000	2.000
Rmerge	0.083	1.549
Rmeas	0.085	1.600
Rpim	0.019	0.395
Number of reflections	14428	799
<I/σ(I)>	23.56	1.8
Completeness [%]	98.8	97.9
Redundancy	19.8	15.7
CC(1/2)	1.000	0.921

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	293	200mM potassium formate, 20% (w/v) PEG3500