3IS7

Structure of mineralized Bfrb from Pseudomonas aeruginosa to 2.1A 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	2009-03-13
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	125.806, 202.756, 207.546
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.040 - 2.100
R-factor	0.196
Rwork	0.193
R-free	0.24400
Structure solution method	MOLREP
Starting model (for MR)	1bfr
RMSD bond length	0.021
RMSD bond angle	1.824
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (refmac_5.5.0066)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.040	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.109	0.669
Number of reflections	309226
<I/σ(I)>	16.162	2.007
Completeness [%]	99.9	99.4
Redundancy	7	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	277	35% MPD, 100mM MES, 200mM Li2SO4, pH 6.0, vapor diffusion, temperature 277K