3WVN

Complex structure of VinN with L-aspartate

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	2014-05-26
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	80.530, 109.300, 200.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.630 - 2.200
R-factor	0.20886
Rwork	0.207
R-free	0.24289
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wv5
RMSD bond length	0.015
RMSD bond angle	1.727
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]	42.270	2.320
High resolution limit [Å]	2.200	2.200
Number of reflections	43099
Completeness [%]	95.5	88.3

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 L-aspartate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K