27AF

Crystal structure of protein PF1862 from Pyrococcus furiosus crystallized at 04 degree Celsius

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	2026-05-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.997
Spacegroup name	P 1 21 1
Unit cell lengths	38.483, 39.574, 64.933
Unit cell angles	90.00, 100.53, 90.00

Refinement procedure

Resolution	35.520 - 1.520
R-factor	0.1857
Rwork	0.184
R-free	0.21990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.011
RMSD bond angle	1.142
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.570	1.550
High resolution limit [Å]	1.520	1.520
Rmerge	0.087	0.502
Rmeas	0.095	0.546
Rpim	0.036	0.213
Number of reflections	29688	1345
<I/σ(I)>	11.4	2
Completeness [%]	99.6	92.2
Redundancy	7	6.3
CC(1/2)	0.998	0.927

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5.5	277	0.1 M Bis-Tris (pH 5.5) and 17% PEG 10000; protein PF1862 at 20 mg/mL