1NI2

Structure of the active FERM domain of Ezrin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	123
Detector technology	CCD
Collection date	2000-01-08
Detector	ADSC QUANTUM 4
Wavelength(s)	0.901
Spacegroup name	P 1 21 1
Unit cell lengths	48.489, 112.802, 66.301
Unit cell angles	90.00, 102.32, 90.00

Refinement procedure

Resolution	26.000 * - 2.300
R-factor	0.23
Rwork	0.230
R-free	0.28200 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdb is 1EF1
RMSD bond length	0.011 *
RMSD bond angle	2.200 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.000 *	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.072 *	0.256 *
Total number of observations	183710 *
Number of reflections	27498 *
<I/σ(I)>	7.1
Completeness [%]	89.3	77.2 *
Redundancy	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.1 *	291	10% PEG 2K, 10% GLYCEROL, 5% ISOPROPANOL, TRIS-HCL, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 18K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG2000 MME	10-15 (%(w/v))
2	1	reservoir	glycerol	15 (%)
3	1	reservoir	2-propanol	10 (%(w/v))
4	1	reservoir	sodium HEPES	0.1 (M)	pH8.1