4TOB

1.95A resolution structure of BfrB (Q151L) 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	2010-07-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	125.669, 203.154, 207.792
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.340 - 1.950
R-factor	0.1579
Rwork	0.156
R-free	0.18810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.008
Data scaling software	Aimless (0.1.29)
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1450))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.340	49.340	1.980
High resolution limit [Å]	1.950	10.680	1.950
Rmerge	0.144	0.052	0.958
Rpim	0.059	0.022	0.409
Total number of observations	2639550	16558	121492
Number of reflections	384285
<I/σ(I)>	10.8	29.9	2.2
Completeness [%]	100.0	98.7	100
Redundancy	6.9	6.5	6.4
CC(1/2)	0.996	0.996	0.695

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	293	35% (v/v) MPD, 0.1M MES, 0.2M Lithium Sulfate