9Y2Y

Rubredoxin from Pyrococcus Furiosus at 393K, 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]	393
Detector technology	PIXEL
Collection date	2025-01-31
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	34.241, 34.756, 43.105
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.060 - 1.680
R-factor	0.2151
Rwork	0.214
R-free	0.24347
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.801
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]	27.060	1.961
High resolution limit [Å]	1.680	1.683
Rmerge	0.421	1.936
Rpim	0.135	0.630
Number of reflections	3582	199
<I/σ(I)>	4.8	1.9
Completeness [%]	87.2	47.8
Redundancy	10.8	10.1
CC(1/2)	0.977	0.636

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