8JWK

The second purified state crystal structure of AKRtyl

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	2020-11-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97915
Spacegroup name	P 43
Unit cell lengths	111.894, 111.894, 563.243
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.380 - 2.320
R-factor	0.1833
Rwork	0.181
R-free	0.21720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.422
Data reduction software	HKL-3000 (7.21)
Data scaling software	HKL-3000 (7.21)
Phasing software	PHENIX (1.17.1_3660)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.360
High resolution limit [Å]	2.320	2.320
Rmerge	0.160	0.665
Number of reflections	296368	14820
<I/σ(I)>	11.9	2
Completeness [%]	100.0
Redundancy	5.6
CC(1/2)	0.965	0.768

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293.15	22% PEG 400, 0.1M MES