9UNT

Crystal structure of UPF0235 protein PF1765 from Pyrococcus furiosus

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	2025-02-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.978930
Spacegroup name	P 21 21 21
Unit cell lengths	44.479, 59.358, 79.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.870 - 1.300
R-factor	0.1816
Rwork	0.181
R-free	0.19500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AF-Q8U052-F1
RMSD bond length	0.015
RMSD bond angle	1.433
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	1.320
High resolution limit [Å]	1.300	1.300
Rmerge	0.059	0.563
Rmeas		0.669
Rpim	0.025	0.353
Number of reflections	52465	2434
<I/σ(I)>	15.1	1.7
Completeness [%]	99.6	94.5
Redundancy	6.5	3.5
CC(1/2)	0.998	0.672

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	6.5	294	0.2 M sodium sulfate, 0.1 M Bis-Tris-propane, pH6.5, 20% PEG3350