8KEM

PKS domains-fused AmpC EC2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98
Spacegroup name	C 2 2 21
Unit cell lengths	108.470, 248.860, 153.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.369 - 2.770
R-factor	0.230729608144
Rwork	0.229
R-free	0.26552
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.609
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	phenix.refine (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.840
High resolution limit [Å]	2.770	2.770
Number of reflections	53091	3749
<I/σ(I)>	15.6
Completeness [%]	99.8
Redundancy	13.9
CC(1/2)	0.999	0.753

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		295	20mM MgCl2, 100mM sodium citrate/citric acid, and 40% polyethylene glycol 400