4DEZ

Structure of MsDpo4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-01
Detector	MAR CCD 165 mm
Wavelength(s)	0.96
Spacegroup name	P 65 2 2
Unit cell lengths	125.230, 125.230, 142.520
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.600
Rwork	0.211
R-free	0.23800
Structure solution method	SAD
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXS
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.091	0.474
Number of reflections	20393
<I/σ(I)>	23.49	4.5
Completeness [%]	100.0	100
Redundancy	7.2	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	298	2.4 M NaCl with 0.1 M Na/K phosphate (pH=6.2), VAPOR DIFFUSION, HANGING DROP, temperature 298K