1NTV

Crystal Structure of the Disabled-1 (Dab1) PTB domain-ApoER2 peptide complex

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	2002-02-22
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	36.247, 45.724, 90.124
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.500
R-factor	0.2135
Rwork	0.222
R-free	0.24500
Structure solution method	MAD
RMSD bond length	0.004
RMSD bond angle	22.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.540
High resolution limit [Å]	1.500	1.500
Rmerge	0.052	0.235
Total number of observations	141192 *
Number of reflections	24532 *
<I/σ(I)>	21.2
Completeness [%]	99.5	98.9
Redundancy	5	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5	298	HEPES, PEG8000, ethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 25K, pH 7.50
1	Vapor diffusion, hanging drop *	7.5	298	HEPES, PEG8000, ethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 25K, pH 7.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15-25 (mg/ml)
2	1	drop	Tris	50 (mM)	pH6.8
3	1	drop		50 (mM)
4	1	drop	dithiothreitol	5 (mM)
5	1	drop	HEPES	0.1 (M)	pH7.5
6	1	drop	PEG8000	34-36 (%)
7	1	drop	ethanol	5 (%)
8	1	reservoir	HEPES	0.1 (M)	pH7.5
9	1	reservoir	PEG8000	34-36 (%)