9Y33

Rubredoxin from Pyrococcus Furiosus at 363K, 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]	363
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	34.224, 34.694, 43.312
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.080 - 1.350
R-factor	0.11291
Rwork	0.111
R-free	0.15393
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.795
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]	27.080	1.479
High resolution limit [Å]	1.346	1.346
Rmerge	0.098	2.046
Rpim	0.031	0.629
Number of reflections	9160	458
<I/σ(I)>	13.3	1.5
Completeness [%]	91.5	46
Redundancy	12.5	11.3
CC(1/2)	0.994	0.426

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