9Y29

Rubredoxin from Pyrococcus Furiosus at 280K, Alanine-2 N terminus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	280
Detector technology	PIXEL
Collection date	2025-01-31
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.72929
Spacegroup name	P 21 21 21
Unit cell lengths	34.216, 34.931, 43.776
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.300 - 1.080
R-factor	0.12587
Rwork	0.125
R-free	0.14431
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.904
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]	27.304	1.188
High resolution limit [Å]	1.080	1.085
Rmerge	0.056	0.938
Rpim	0.024	0.408
Number of reflections	16617	831
<I/σ(I)>	13.2	1.6
Completeness [%]	91.0
Redundancy	6.6
CC(1/2)	0.999	0.671

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