1RRK

Crystal Structure Analysis of the Bb segment of Factor B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	298
Detector technology	CCD
Wavelength(s)	0.97175
Spacegroup name	P 61
Unit cell lengths	98.980, 98.980, 126.428
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.670 - 2.000
R-factor	0.22
Rwork	0.220
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dle
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.064	0.345
Number of reflections	46985
<I/σ(I)>	26.8	4.34
Completeness [%]	99.4	100
Redundancy	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	PEGMME 2000, NaI, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K