9Q36

Crystal structure of C43S terpredoxin, a [2Fe-2S] ferredoxin from Pseudomonas sp

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-11-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	30.970, 80.450, 86.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.970 - 2.100
R-factor	0.2252
Rwork	0.223
R-free	0.27110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.212
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.970	2.227
High resolution limit [Å]	2.100	2.100
Number of reflections	12647	1084
<I/σ(I)>	4.78	0.84
Completeness [%]	96.0
Redundancy	2
CC(1/2)	0.989	0.619

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	1.6 M sodium citrate pH 6.5