9Y30

Rubredoxin from Pyrococcus Furiosus at 383K, 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]	383
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	34.266, 34.813, 43.214
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.110 - 1.530
R-factor	0.1467
Rwork	0.145
R-free	0.19009
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.692
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]	27.110	1.638
High resolution limit [Å]	1.529	1.529
Rmerge	0.337	4.954
Rpim	0.104	1.345
Number of reflections	6867	343
<I/σ(I)>	7.7	1.5
Completeness [%]	90.4	38.8
Redundancy	12.4	14.6
CC(1/2)	0.965	0.170

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