9VYT

Crystal structure of UPF0235 protein PF1765 from Pyrococcus furiosus crystallized with sodium citrate at pH 8.0

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	44.574, 59.419, 79.572
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.610 - 1.450
R-factor	0.1763
Rwork	0.175
R-free	0.19650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	9unt
RMSD bond length	0.015
RMSD bond angle	1.430
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]	47.610	1.470
High resolution limit [Å]	1.450	1.450
Rmerge	0.049	1.246
Rmeas	0.053
Rpim	0.020	0.490
Number of reflections	37840	1801
<I/σ(I)>	20.8	1.6
Completeness [%]	99.2	98.2
Redundancy	7.2	7.3
CC(1/2)	0.999	0.651

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	8	294	1.6 M tri-Na citrate