6KI3

The crystal structure of AsfvAP:dF commplex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	90
Detector technology	CCD
Collection date	2018-03-07
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	50.637, 84.698, 98.585
Unit cell angles	90.00, 93.66, 90.00

Refinement procedure

Resolution	28.348 - 2.354
R-factor	0.2094
Rwork	0.208
R-free	0.24360
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.570
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	HKL2Map
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.390
High resolution limit [Å]	2.350	6.360	2.350
Rmerge	0.137	0.095	0.526
Rmeas	0.162	0.112	0.645
Rpim	0.084	0.057	0.367
Total number of observations	112297
Number of reflections	34031	1778	1641
<I/σ(I)>	8
Completeness [%]	98.6	99.3	95.9
Redundancy	3.3	3.6	2.6
CC(1/2)		0.982	0.623

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	0.1 M BIS-TRIS pH 5.5 13% w/v PEG 10,000 0.1 M Ammonium acetate