9Y1U

Rubredoxin from Pyrococcus Furiosus at 240K, 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]	240
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	34.028, 34.583, 43.682
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.110 - 0.980
R-factor	0.12594
Rwork	0.125
R-free	0.14769
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	2.123
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]	27.114	1.050
High resolution limit [Å]	0.980	0.980
Rmerge	0.048	0.886
Rpim	0.020	0.374
Number of reflections	23294	1165
<I/σ(I)>	15.9	1.4
Completeness [%]	93.6	58.6
Redundancy	6.6	6.4
CC(1/2)	0.999	0.728

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