1G9O

FIRST PDZ DOMAIN OF THE HUMAN NA+/H+ EXCHANGER REGULATORY FACTOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F2
Synchrotron site	CHESS
Beamline	F2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-05-20
Detector	ADSC QUANTUM 4
Wavelength(s)	0.98401
Spacegroup name	P 32 2 1
Unit cell lengths	51.568, 51.568, 58.947
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.600 - 1.500
R-factor	0.181 *
Rwork	0.181
R-free	0.20100
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.039	0.152
Total number of observations	246628 *
Number of reflections	14916
<I/σ(I)>	35	10.3
Completeness [%]	99.7	98.9
Redundancy	7.5	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.9	20 *	potassium sodium tartrate, sodium citrate, ammonium sulfate, manganese chloride, pH 5.9, VAPOR DIFFUSION, SITTING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	potassium sodium tartrate	0.05 (M)
3	1	reservoir	sodium citrate	0.06 (M)
4	1	reservoir	ammonium sulfate	2 (M)
5	1	reservoir		20 (mM)