9BKL

Cobalt substituted rubredoxin from Pyrococcus furiosus solved by Co/S-SAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-09
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	34.016, 34.645, 43.347
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.060 - 1.700
R-factor	0.146
Rwork	0.142
R-free	0.18290
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.797
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	AutoSol
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.049	0.066
Number of reflections	9458	101
<I/σ(I)>	64.98
Completeness [%]	90.8
Redundancy	9.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	3.8M NaH2PO4, 3.8M K2HPO4 (1:1, v/v)