7WUP

The crystal structure of ApiI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	P 1 21 1
Unit cell lengths	49.409, 111.045, 66.491
Unit cell angles	90.00, 98.04, 90.00

Refinement procedure

Resolution	48.920 - 2.300
R-factor	0.1981
Rwork	0.196
R-free	0.23720
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.541
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX (1.12-2829)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.350
High resolution limit [Å]	2.300	2.310
Rmerge	0.139	0.550
Rmeas	0.150	0.607
Rpim	0.057	0.253
Number of reflections	31125	2948
<I/σ(I)>	15.087	2.833
Completeness [%]	98.4	93.5
Redundancy	6.6	5.4
CC(1/2)	0.995	0.844

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	JCSG C3 0.2 M Ammonium nitrate, 20 %(w/v) PEG 3350