1QZ1

Crystal Structure of the Ig 1-2-3 fragment of NCAM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-11-06
Detector	MARRESEARCH
Wavelength(s)	1.0526
Spacegroup name	I 21 21 21
Unit cell lengths	51.440, 107.760, 149.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.640 - 2.000
Rwork	0.218
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1epf
RMSD bond length	0.008
RMSD bond angle	27.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.039	0.209
Total number of observations	164206 *
Number of reflections	27881
<I/σ(I)>	19.6	1.4
Completeness [%]	99.2	99.4
Redundancy	5.9	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4 *	18 *	14-17% PEG 4000, 450 mM Li sulfate, 100 mM Na acetate, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	7.4 *	18 *	14-17% PEG 4000, 450 mM Li sulfate, 100 mM Na acetate, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4 (mg/ml)
2	1	drop	sodium phosphate	5 (mM)
3	1	drop		150 (mM)	pH7.4
4	1	reservoir	PEG4000	14-17 (%(w/v))
5	1	reservoir	lithium sulfate	450 (mM)
6	1	reservoir	sodium acetate	100 (mM)	pH5.2