5D8O

1.90A resolution structure of BfrB (wild-type, C2221 form) 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	2015-07-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00000
Spacegroup name	C 2 2 21
Unit cell lengths	130.017, 195.279, 203.351
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.092 - 1.900
R-factor	0.1552
Rwork	0.153
R-free	0.19230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3is7
RMSD bond length	0.009
RMSD bond angle	0.942
Data reduction software	XDS
Data scaling software	Aimless (0.5.12)
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.770	47.770	1.930
High resolution limit [Å]	1.900	10.410	1.900
Rmerge	0.150	0.043	1.094
Total number of observations	1371423	8727	67933
Number of reflections	202062
<I/σ(I)>	10.6	33.7	2.1
Completeness [%]	100.0	98.7	100
Redundancy	6.8	6.5	6.8
CC(1/2)	0.996	0.998	0.747

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	30% (v/v) PEG 200, 100 mM Na acetate, 200 sodium chloride