9VYY

Crystal structure of UPF0235 protein PF1765 from Pyrococcus furiosus crystallized with CaCl2 at pH 7

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	2025-04-23
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.978930
Spacegroup name	P 41 21 2
Unit cell lengths	59.438, 59.438, 59.819
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.160 - 1.450
R-factor	0.1959
Rwork	0.195
R-free	0.21720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	9unt
RMSD bond length	0.012
RMSD bond angle	1.329
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]	42.160	1.480
High resolution limit [Å]	1.450	1.450
Rmerge	0.063	1.407
Rmeas	0.064	1.448
Rpim	0.014	0.336
Number of reflections	19633	975
<I/σ(I)>	24.1	2.1
Completeness [%]	100.0	100
Redundancy	21.8	18.1
CC(1/2)	0.999	0.771

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	7	294	0.2 M Calcium chloride, 0.1 M Hepes pH 7, 20% PEG 6000