9XZU

Rubredoxin from Pyrococcus Furiosus at 100K, 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]	100
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	33.864, 34.328, 43.433
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.932 - 0.825
Rwork	0.131
R-free	0.14770
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.887
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	HKL2Map
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.932	0.891
High resolution limit [Å]	0.825	0.825
Rmerge	0.049	0.680
Rpim	0.020	0.320
Number of reflections	38521	1926
<I/σ(I)>	17.5	1.6
Completeness [%]	93.2
Redundancy	6.5
CC(1/2)	0.999	0.753

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