6IRI

Crystal structure of the minor ferredoxin from Thermosynechococcus elongatus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-01-31
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	27.946, 51.121, 31.570
Unit cell angles	90.00, 116.15, 90.00

Refinement procedure

Resolution	28.340 - 1.380
R-factor	0.1146
Rwork	0.112
R-free	0.15700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5aui
RMSD bond length	0.021
RMSD bond angle	2.086
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.340	28.340	1.470
High resolution limit [Å]	1.380	4.110	1.380
Rmerge	0.056		0.585
Number of reflections	16325		2593
<I/σ(I)>	12.82		2
Completeness [%]	99.3		98.9
Redundancy	3.68		3.62
CC(1/2)	0.999		0.718

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	100 mM HEPES (pH 7.5), 2.4 M ammonium sulfate