9VYW

Crystal structure of UPF0235 protein PF1765 from Pyrococcus furiosus crystallized with CaCl2 at pH 5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	100
Detector technology	CCD
Collection date	2025-03-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.978930
Spacegroup name	P 41 21 2
Unit cell lengths	59.635, 59.635, 59.541
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.340 - 1.500
R-factor	0.201
Rwork	0.200
R-free	0.21360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	9unt
RMSD bond length	0.007
RMSD bond angle	0.915
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.170	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.039	2.016
Rmeas	0.040	2.094
Rpim	0.011	0.562
Number of reflections	17813	867
<I/σ(I)>	30.2	1.6
Completeness [%]	100.0	100
Redundancy	13.5	13.6
CC(1/2)	1.000	0.688

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	5	294	0.2 M Calcium chloride, 0.1 M Na acetate pH 5, 20% PEG 6000