3VDB

E. coli (lacZ) beta-galactosidase (N460T) in complex with galactonolactone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-09-01
Detector	ADSC QUANTUM 210
Wavelength(s)	1.11587
Spacegroup name	P 21 21 21
Unit cell lengths	151.443, 161.643, 202.155
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	75.050 - 2.050
R-factor	0.15725
Rwork	0.157
R-free	0.20532
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1jz5
RMSD bond length	0.007
RMSD bond angle	1.056
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	204.120	2.160
High resolution limit [Å]	2.050	2.050
Rmerge	0.043	0.073
Number of reflections	249661
<I/σ(I)>	13	5.5
Completeness [%]	81.1	52.3
Redundancy	2.1	1.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	288	10% PEG8000, 100 mM Bis-Tris, pH 6.5, 200 mM magnesium chloride, 100 mM sodium chloride, 10 mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 288K