3ISF

Structure of non-mineralized Bfrb (as-isolated) from Pseudomonas aeruginosa to 2.07A Resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-BM
Synchrotron site	APS
Beamline	17-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-15
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.6531
Spacegroup name	I 2 2 2
Unit cell lengths	122.761, 126.274, 168.553
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.020 - 2.070
R-factor	0.2
Rwork	0.198
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3is7
RMSD bond length	0.021
RMSD bond angle	1.871
Data reduction software	DENZO
Data scaling software	d*TREK
Phasing software	MOLREP
Refinement software	REFMAC (refmac_5.5.0066)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.020	2.140
High resolution limit [Å]	2.070	2.070
Rmerge	0.090	0.504
Number of reflections	79588
<I/σ(I)>	20.279	2.375
Completeness [%]	99.5	97.8
Redundancy	6.9	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	277	35% MPD, 100mM TRIS, 200mM ammonium sulfate, pH 8.5, vapor diffusion, temperature 277K