3BFV

crystal structure of the chimerical protein CapAB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-04-16
Spacegroup name	P 1
Unit cell lengths	36.460, 52.520, 68.110
Unit cell angles	107.71, 89.95, 110.32

Refinement procedure

Resolution	19.940 - 1.800
R-factor	0.18
Rwork	0.178
R-free	0.21700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB 1ION
RMSD bond length	0.008
RMSD bond angle	1.151
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.900
High resolution limit [Å]	1.800	1.800
Number of reflections	39022
<I/σ(I)>	9.35
Completeness [%]	98.7	99

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.8	298	23 % PEG 1000, 0.1 M Tris-HCl, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 8.80
1		8.8	298	23 % PEG 1000, 0.1 M Tris-HCl, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 8.80