2Q67

Crystal Structure of Nak channel D66A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2006-08-16
Detector	SBC-3
Wavelength(s)	0.9786
Spacegroup name	C 2 2 21
Unit cell lengths	82.230, 85.270, 130.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.300
Rwork	0.235
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ahz
RMSD bond length	0.006
RMSD bond angle	1.057
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.380
High resolution limit [Å]	2.300	4.950	2.300
Rmerge	0.052	0.032	0.829
Number of reflections	19526
<I/σ(I)>	12.9
Completeness [%]	94.5	92.4	82.2
Redundancy	5.3	5.5	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	200 mM CaCl2, 100 mM Tris-HCl, 37-42% PEG400, 4% t-Butanol, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K