2Z5Q

Apo-Fr with intermediate content of Pd ion

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	180.570, 180.570, 180.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.390 - 2.100
R-factor	0.20179
Rwork	0.199
R-free	0.25352
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dat
RMSD bond length	0.018
RMSD bond angle	1.489
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	2.230
High resolution limit [Å]	2.100	2.103
Rmerge	0.086	0.258
Number of reflections	15240
<I/σ(I)>	70.5	18.4
Completeness [%]	100.0	100
Redundancy	42.7	44.1

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