9VYS

Crystal structure of UPF0235 protein PF1765 from Pyrococcus furiosus at pH 9

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 21 21 21
Unit cell lengths	44.427, 59.212, 78.732
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.370 - 1.300
R-factor	0.1808
Rwork	0.180
R-free	0.19680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	9unt
RMSD bond length	0.011
RMSD bond angle	1.171
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]	47.320	1.320
High resolution limit [Å]	1.300	1.300
Rmerge	0.053	1.004
Rmeas		1.117
Rpim	0.022	0.479
Number of reflections	51734	2443
<I/σ(I)>	17.2	1.6
Completeness [%]	99.8	97.5
Redundancy	6.8	5.2
CC(1/2)	0.998	0.567

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	9	294	0.1 M MMT (MES, MOPS, and Tris) buffer pH 9, 25% PEG 1500