6MAG

native BbvCI B2 dimer in space group C222

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-09
Detector	MAR CCD 130 mm
Wavelength(s)	1.000
Spacegroup name	C 2 2 2
Unit cell lengths	95.712, 165.707, 141.175
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.650 - 2.070
R-factor	0.19801
Rwork	0.196
R-free	0.24321
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6eg7
RMSD bond length	0.008
RMSD bond angle	1.688
Data reduction software	HKL-2000 (v7.2)
Data scaling software	HKL-2000 (v7.2)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.650	2.140
High resolution limit [Å]	2.070	2.070
Rmeas	0.112	1.071
Rpim	0.056	0.523
Number of reflections	62192	6515
<I/σ(I)>	10.8
Completeness [%]	96.3	97.7
Redundancy	4.2	3.7
CC(1/2)		0.548

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	298	0.4 M (NH4)H2PO4