9Y32

Rubredoxin from Pyrococcus Furiosus at 373K, formyl-Methionine N-terminus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	373
Detector technology	PIXEL
Collection date	2025-01-31
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	34.155, 34.632, 42.977
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.966 - 1.472
R-factor	0.12581
Rwork	0.124
R-free	0.17320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.664
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.966	1.599
High resolution limit [Å]	1.472	1.472
Rmerge	0.105	2.145
Rpim	0.033	0.631
Number of reflections	7348	367
<I/σ(I)>	12	1.5
Completeness [%]	90.7	37.1
Redundancy	11.1	12.4
CC(1/2)	0.999	0.567

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	VAPOR DIFFUSION AGAINST 3.1 M NaCl with 3.6M Na,K PHOSPHATE, pH 8.0