1H0A

Epsin ENTH bound to Ins(1,4,5)P3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2001-11-15
Detector	ADSC CCD
Spacegroup name	I 2 2 2
Unit cell lengths	41.209, 95.823, 118.151
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.870 * - 1.700
R-factor	0.189
Rwork	0.185
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1edu
RMSD bond length	0.033 *
RMSD bond angle	2.300 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.870 *	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.093	0.558
Number of reflections	24504
<I/σ(I)>	5.9798	1.33
Completeness [%]	98.0 *	89 *
Redundancy	5.9 *	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.4		35-38% DIOXANE, pH 7.40

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	dioxane	35-38 (%)
2	1	reservoir	Ins(a,4,5)P3	1.8 (mM)
3	1	reservoir	epsinENTH	0.600 (mM)