9LHF

Crystal structure of A13 with hGSTO1

This is a non-PDB format compatible entry.

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	2024-07-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97923
Spacegroup name	P 1 21 1
Unit cell lengths	58.958, 68.277, 62.757
Unit cell angles	90.00, 112.59, 90.00

Refinement procedure

Resolution	42.560 - 2.300
R-factor	0.2058
Rwork	0.204
R-free	0.24780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.512
Data reduction software	autoPX
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.560	2.384
High resolution limit [Å]	2.300	2.302
Number of reflections	20036	1719
<I/σ(I)>	16.47	2.61
Completeness [%]	97.5
Redundancy	2
CC(1/2)	0.997	0.361

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.1M MES pH6.6, PEG3350-26%