9Y38

Rubredoxin from Pyrococcus Furiosus at 313K, 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]	313
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	34.356, 34.915, 43.919
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.330 - 1.410
R-factor	0.15316
Rwork	0.151
R-free	0.19537
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.702
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]	27.331	1.520
High resolution limit [Å]	1.410	1.413
Rmerge	0.111	1.635
Rpim	0.033	0.460
Number of reflections	8608	430
<I/σ(I)>	11	1.3
Completeness [%]	90.7	42.4
Redundancy	12.5	13.3
CC(1/2)	0.997	0.685

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