7FJA

KpAckA (PduW) with AMPPNP, ethylene glycol complex structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97915
Spacegroup name	C 2 2 21
Unit cell lengths	103.097, 152.187, 131.738
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.020 - 2.200
R-factor	0.1958
Rwork	0.195
R-free	0.23010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7fj7
RMSD bond length	0.008
RMSD bond angle	0.928
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.200	2.200
Rpim	0.047	0.325
Number of reflections	53723	2641
<I/σ(I)>	15.92	4.45
Completeness [%]	100.0	100
Redundancy	8	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	0.1 M BIS-TRIS, 45% v/v Polypropylene glycol P 400, pH 6.5