2Z5R

Apo-Fr with high content of Pd ions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-03
Detector	ADSC QUANTUM 315
Wavelength(s)	0.5086
Spacegroup name	F 4 3 2
Unit cell lengths	181.594, 181.594, 181.594
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.410 - 2.500
R-factor	0.22298
Rwork	0.219
R-free	0.28671
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dat
RMSD bond length	0.026
RMSD bond angle	2.262
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.500	2.500
Rmerge	0.092	0.302
Number of reflections	9397
<I/σ(I)>	33.9	7.2
Completeness [%]	100.0	100
Redundancy	11.6	11.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Ammonium sulfate, Cadmium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP		293	Ammonium sulfate, Cadmium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K