2VKX

Human NCAM, FN3 domains 1 and 2, M610R mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX10.1
Synchrotron site	SRS
Beamline	PX10.1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-06-21
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	92.419, 107.573, 161.124
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.700
R-factor	0.2233
Rwork	0.223
R-free	0.26760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NCAM FN3 DOMAIN PAIR WILD-TYPE
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.850
High resolution limit [Å]	2.700	2.700
Rmerge	0.080	0.450
Number of reflections	44403
<I/σ(I)>	17.9	4.3
Completeness [%]	99.0	97.2
Redundancy	6.2	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.6		pH 4.6