9Y11

Zn Rubredoxin from Pyrococcus Furiosus at 220K, 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]	220
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	33.966, 34.438, 43.624
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.030 - 0.910
R-factor	0.12701
Rwork	0.126
R-free	0.14670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	2.028
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]	27.030	0.986
High resolution limit [Å]	0.910	0.915
Rmerge	0.049	0.931
Rpim	0.020	0.381
Number of reflections	28318	1416
<I/σ(I)>	16.1	1.4
Completeness [%]	94.0
Redundancy	6.6
CC(1/2)	1.000	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