2BF0

crystal structure of the rpr of pcf11

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2004-05-15
Detector	ADSC CCD
Wavelength(s)	0.976,0.9792,0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	75.494, 75.494, 56.135
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.300
R-factor	0.26
Rwork	0.258
R-free	0.28200
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.845
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.300
Rmerge	0.060
Number of reflections	7191
<I/σ(I)>	36
Completeness [%]	100.0
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.8		25% PEG 4000, 0.1 M TRIS PH 7.0, 0.2 M (NH4)2SO4 AND 10 MM CACL2