3DKB

Crystal Structure of A20, 2.5 angstrom

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	97
Detector technology	CCD
Collection date	2006-01-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97922, 0.97942,0.97166,0.98714
Spacegroup name	P 32
Unit cell lengths	123.636, 123.636, 143.043
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 2.500
Rwork	0.200
R-free	0.24600
Structure solution method	MAD
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.06)
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.540
High resolution limit [Å]	2.500	6.760	2.500
Rmerge	0.072	0.035	0.533
Number of reflections	84504
<I/σ(I)>	12.5
Completeness [%]	99.9	98.8	99.7
Redundancy	5.3	5.5	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	1 M ammonium sulfate, 300 mM Na thiocyanate, 5 mM MgSO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	1 M ammonium sulfate, 300 mM Na thiocyanate, 5 mM MgSO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K