6E6R

1.50 A resolution structure of the C-terminally truncated [2Fe-2S] ferredoxin (Bfd) R26E 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	2015-06-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	22.444, 43.173, 44.321
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.926 - 1.500
R-factor	0.1587
Rwork	0.158
R-free	0.17750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e6k
RMSD bond length	0.020
RMSD bond angle	1.069
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX (dev_2838)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.170	43.170	1.530
High resolution limit [Å]	1.500	8.220	1.500
Rmerge	0.070	0.028	0.993
Total number of observations	43227
Number of reflections	7316	64	346
<I/σ(I)>	13.2
Completeness [%]	99.8	99.4	99.8
Redundancy	5.9	4.4	6.2
CC(1/2)	0.999	1.000	0.670

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	1.6 M sodium citrate tribasic