9JN8

Crystal structure of a thioredoxin-like ferredoxin of Rhodobacter capsulatus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 41 2 2
Unit cell lengths	60.040, 60.040, 277.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.680 - 2.120
R-factor	0.2019
Rwork	0.200
R-free	0.24130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.004
RMSD bond angle	0.660
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.680	2.180
High resolution limit [Å]	2.120	2.120
Rmerge	0.076
Rpim	0.016	0.652
Number of reflections	30050	2147
<I/σ(I)>	26.1	1.8
Completeness [%]	99.9	99.6
Redundancy	25
CC(1/2)	0.970	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	Sodium acetate