9XBC

Crystal structure of HEPNY94F from Planktothricoides raciborskii Chao 2109

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-09-02
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54056
Spacegroup name	P 1 21 1
Unit cell lengths	60.779, 34.579, 63.171
Unit cell angles	90.00, 93.39, 90.00

Refinement procedure

Resolution	12.970 - 1.800
R-factor	0.1943
Rwork	0.192
R-free	0.23580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.972
Data reduction software	CrysalisPro
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	12.970	1.840
High resolution limit [Å]	1.800	1.800
Number of reflections	44812	1426
<I/σ(I)>	14.7	2.2
Completeness [%]	99.0
Redundancy	3.8
CC(1/2)	0.998	0.908

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	0.1 M Tris (pH 8.0), 25% PEG 350 MME