3WV5

Complex structure of VinN with 3-methylaspartate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-17
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	80.660, 109.410, 200.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.440 - 2.200
R-factor	0.20714
Rwork	0.205
R-free	0.24514
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wv4
RMSD bond length	0.016
RMSD bond angle	1.748
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.440	2.280
High resolution limit [Å]	2.200	2.200
Number of reflections	44288
Completeness [%]	97.8	93.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	278	0.1M Tris-HCl, 0.2M sodium acetate, 30% polyethylene glycol 4000, 100mM DL-threo-beta-methylaspartate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K