9Y00

Zinc Rubredoxin from Pyrococcus Furiosus at 140K, A2 Nterminus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	140
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	33.893, 34.348, 43.474
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.950 - 0.830
R-factor	0.12749
Rwork	0.127
R-free	0.13951
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.835
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]	26.950	0.901
High resolution limit [Å]	0.830	0.832
Rmerge	0.048	0.716
Rpim	0.020	0.326
Number of reflections	37292	1865
<I/σ(I)>	17.4	1.6
Completeness [%]	93.6	53.6
Redundancy	6.5	5.6
CC(1/2)	1.000	0.750

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