6TB5

The crystal structure of the DPS2 from DEINOCOCCUS RADIODURANS to 1.83A resolution (sequentially soaked in CaCl2 [5mM] for 20 min, then in Ammonium iron(II) sulfate [10mM] for 2h).

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	2005-12-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9537
Spacegroup name	P 2 3
Unit cell lengths	88.830, 88.830, 88.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.090 - 1.830
R-factor	0.1754
Rwork	0.173
R-free	0.21200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2c6r
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.610	1.870
High resolution limit [Å]	1.830	1.830
Rmerge	0.120	1.530
Rmeas	0.123
Rpim	0.028	0.410
Number of reflections	20877	1294
<I/σ(I)>	17.2	2
Completeness [%]	99.8	100
Redundancy	19.6	14.8
CC(1/2)	0.995	0.726

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M KCl, 0.01M MgCl2, 0.05M HEPES pH 7.0, 5% v/v PEG400 (NATRIX #35)