8XR3

Crystal structure of AKRtyl-apo2

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	2023-12-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97862
Spacegroup name	I 4
Unit cell lengths	109.325, 109.325, 140.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.650 - 2.310
R-factor	0.1753
Rwork	0.173
R-free	0.21860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.467
Data reduction software	HKL-3000 (7.21)
Data scaling software	HKL-3000 (7.21)
Phasing software	PHASER (2.7.0)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.390	2.430
High resolution limit [Å]	2.310	2.310
Number of reflections	36443	5300
<I/σ(I)>	10.2
Completeness [%]	100.0
Redundancy	13.3
CC(1/2)	0.997	0.833

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	10 % w/v PEG 4000, 10 % v/v 2-Propanol, 0.1 M Sodium HEPES, pH 7.0