9WM8

The crystal structure of AstaP-pink1 from a microalga

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-29
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.018
Spacegroup name	P 21 21 21
Unit cell lengths	41.845, 52.629, 71.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.360 - 1.700
R-factor	0.1822
Rwork	0.180
R-free	0.22020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.016
RMSD bond angle	1.375
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.370	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.067	0.584
Rmeas	0.073	0.721
Rpim	0.028	0.309
Number of reflections	17985	918
<I/σ(I)>	13.2	1.9
Completeness [%]	100.0	99.6
Redundancy	6.5	5.2
CC(1/2)	0.999	0.823

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Tris-HCl, 20% (v/v) PEG300, 5% (w/v) PEG8000, and 10% (v/v) Glycerol