6NLF

1.45 A resolution structure of apo BfrB 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	2014-07-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	129.727, 197.772, 204.235
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.177 - 1.450
R-factor	0.1478
Rwork	0.147
R-free	0.16450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3is7
RMSD bond length	0.007
RMSD bond angle	0.876
Data reduction software	XDS
Data scaling software	Aimless (0.3.6)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.900	1.470
High resolution limit [Å]	1.450	1.450
Rmerge	0.094	0.901
Total number of observations	2993762
Number of reflections	458281	22670
<I/σ(I)>	11.8
Completeness [%]	99.9	100
Redundancy	6.5	6.4
CC(1/2)	0.998	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	291	8% (w/v) PEG 8000, 0.1 M sodium acetate