6IE5

Crystal structure of ADCP1 tandem Agenet domain 3-4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-11-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 65 2 2
Unit cell lengths	56.204, 56.204, 188.243
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.459 - 2.298
R-factor	0.2022
Rwork	0.201
R-free	0.22280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.107
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.340
High resolution limit [Å]	2.300	6.240	2.300
Rmerge	0.204	0.096	0.662
Rmeas	0.211	0.100	0.688
Rpim	0.056	0.026	0.184
Total number of observations	203552
Number of reflections	14873	752	767
<I/σ(I)>	3.8
Completeness [%]	99.8	98.4	100
Redundancy	13.7	13.7	13.4
CC(1/2)		0.998	0.955

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	2.1M DL-Malic acid pH 7.0