6E6S

1.45 A resolution structure of the C-terminally truncated [2Fe-2S] ferredoxin (Bfd) R26E/K46Y mutant from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	43.186, 46.192, 48.846
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.562 - 1.450
R-factor	0.1616
Rwork	0.160
R-free	0.19160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e6k
RMSD bond length	0.009
RMSD bond angle	1.516
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.850	48.850	1.470
High resolution limit [Å]	1.450	7.940	1.450
Rmerge	0.057	0.026	0.890
Total number of observations	113397
Number of reflections	17875	147	870
<I/σ(I)>	15.8
Completeness [%]	99.6	99.8	99.9
Redundancy	6.3	5.3	6.6
CC(1/2)	0.999	1.000	0.862

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	1.5 M NaCl, 10% (v/v) ethanol