7E0Z

Crystal structure of PKAc-PLN complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2017-11-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 2 21 21
Unit cell lengths	52.571, 70.485, 99.035
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.434 - 2.162
R-factor	0.184
Rwork	0.179
R-free	0.22760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cpk
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3247)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.200
High resolution limit [Å]	2.160	5.860	2.160
Rmerge	0.194	0.112	0.907
Rmeas	0.209	0.122	0.992
Rpim	0.079	0.048	0.395
Total number of observations	140563
Number of reflections	20301	1126	1021
<I/σ(I)>	5.6
Completeness [%]	100.0	99.9	100
Redundancy	6.9	6.5	6.1
CC(1/2)		0.985	0.838

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298.15	0.1M Bis-Tris, pH 6.5, 25% PEG 3350