9Y0Y

Rubredoxin from Pyrococcus Furiosus at 180K, 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]	180
Detector technology	PIXEL
Collection date	2023-12-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.72929
Spacegroup name	P 21 21 21
Unit cell lengths	33.923, 34.357, 43.519
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.966 - 0.852
R-factor	0.13135
Rwork	0.130
R-free	0.15036
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.895
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	0.916
High resolution limit [Å]	0.852	0.852
Rmerge	0.047	0.745
Rpim	0.020	0.320
Number of reflections	35436	1772
<I/σ(I)>	17.2	1.6
Completeness [%]	94.0
Redundancy	6.6
CC(1/2)	1.000	0.782

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