6TGT

The Calcium soaked crystal structure of the DPS2 from DEINOCOCCUS RADIODURANS to 2.16A resolution (Soaked in CaCl2 [5mM] for 20 min).

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2005-12-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9537
Spacegroup name	P 2 3
Unit cell lengths	88.342, 88.342, 88.342
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.210 - 2.155
R-factor	0.2084
Rwork	0.207
R-free	0.23410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2c2j
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	51.000	51.000	2.220
High resolution limit [Å]	2.155	8.890	2.155
Rmerge	0.127	0.042	1.441
Rmeas	0.133	0.045	1.580
Rpim	0.041	0.017	0.479
Number of reflections	12682	209	1059
<I/σ(I)>	17.2	63.8	2
Completeness [%]	100.0	99	100
Redundancy	10.6	7.9	10.7
CC(1/2)	0.998	0.995	0.721

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1 M KCl, 0.01 M MgCl2, 0.05 M HEPES pH 7.0, 5% v/v PEG 400 (Hampton Natrix crystal screen # 35)