2I1Q

RadA Recombinase in complex with Calcium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-08-03
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.3303
Spacegroup name	P 61
Unit cell lengths	84.200, 84.200, 104.700
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.191
Rwork	0.191
R-free	0.21100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xu4
RMSD bond length	0.005
RMSD bond angle	1.180
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.090
High resolution limit [Å]	1.900	1.900
Rmerge	0.062	0.420
Number of reflections	31855
<I/σ(I)>	42.4	8.7
Completeness [%]	99.7	99.4
Redundancy	22.2	22

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	294	6% PEG 3350, 0.05M Tris-HCl, 0.005M MgCl2, 0.025M CaCl2, 0.002M ANP, pH 7.40, VAPOR DIFFUSION, HANGING DROP, temperature 294K