8JWL

The first 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	2020-12-31
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97915
Spacegroup name	P 21 21 2
Unit cell lengths	167.973, 183.092, 102.336
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.170 - 2.300
R-factor	0.1891
Rwork	0.187
R-free	0.23120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.076
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	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.131	1.064
Number of reflections	139793	6907
<I/σ(I)>	16.8
Completeness [%]	99.7
Redundancy	10.9
CC(1/2)	0.982	0.933

Crystallization Conditions

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