9ZDH

Crystal structure of rubredoxin from piezophilic hyperthermophilic archaeon Pyrococcus yayanosii

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	2023-11-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	26.914, 63.513, 78.063
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.280 - 1.360
Rwork	0.172
R-free	0.21300
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.589
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]	33.276	1.500
High resolution limit [Å]	1.357	1.357
Rmerge	0.447	3.708
Rpim	0.138	1.216
Number of reflections	17219	861
<I/σ(I)>	6.4	1.5
Completeness [%]	89.7	57.5
Redundancy	10.2	9.8
CC(1/2)	0.979	0.837

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	VAPOR DIFFUSION AGAINST 3.2M NA,K PHOSPHATE, pH 7.0