4RE0

Crystal structure of VmoLac in P622 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.95373
Spacegroup name	P 61 2 2
Unit cell lengths	134.670, 134.670, 126.400
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.080 - 2.350
R-factor	0.14127
Rwork	0.140
R-free	0.17034
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.024
RMSD bond angle	2.242
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall
Low resolution limit [Å]	46.080
High resolution limit [Å]	2.350
Number of reflections	28744
Completeness [%]	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	protein concentration 20mg/mL, 100 mM Tris, pH 8.5, 1.5 M ammonium sulphate, 12 % v/v glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K