6E6Q

1.20 A resolution structure of the C-terminally truncated [2Fe-2S] ferredoxin (Bfd) 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	2012-02-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	23.946, 49.710, 39.895
Unit cell angles	90.00, 96.85, 90.00

Refinement procedure

Resolution	39.610 - 1.200
R-factor	0.1227
Rwork	0.121
R-free	0.14830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e6k
RMSD bond length	0.012
RMSD bond angle	1.634
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	MOLREP (10.2.35)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.610	39.610	1.220
High resolution limit [Å]	1.200	6.570	1.200
Rmerge	0.065	0.043	0.633
Total number of observations	96242
Number of reflections	28905	194	1377
<I/σ(I)>	10.3
Completeness [%]	99.5	99.1	99.2
Redundancy	3.3	3.5	3.2
CC(1/2)	0.997	0.996	0.766

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	291	30% (v/v) 2-methyl-2,4-pentanediol, 100 mM sodium acetate, 20 mM CaCl2