2ELA

Crystal Structure of the PTB domain of human APPL1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-06-19
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97641
Spacegroup name	P 1 21 1
Unit cell lengths	45.533, 61.593, 60.745
Unit cell angles	90.00, 101.22, 90.00

Refinement procedure

Resolution	29.790 - 2.000
R-factor	0.222
Rwork	0.222
R-free	0.25900
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SnB
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.073	0.269
Number of reflections	23819
<I/σ(I)>	16.74	3.917
Completeness [%]	99.4	97
Redundancy	3.6	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	277	0.1M sodium citrate (pH 5.6), 10% (w/v) PEG 10K, 10% (v/v) isopropanol, VAPOR DIFFUSION, SITTING DROP, temperature 277.0K
1	VAPOR DIFFUSION, SITTING DROP	5.6	277	0.1M sodium citrate (pH 5.6), 10% (w/v) PEG 10K, 10% (v/v) isopropanol, VAPOR DIFFUSION, SITTING DROP, temperature 277.0K