4DUW

E. coli (lacZ) beta-galactosidase (G974A) in complex with allolactose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-08-01
Detector	ADSC QUANTUM 315
Wavelength(s)	1.11589
Spacegroup name	P 21 21 21
Unit cell lengths	151.826, 162.635, 203.692
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.810 - 2.200
R-factor	0.16047
Rwork	0.160
R-free	0.21266
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3t0d
RMSD bond length	0.007
RMSD bond angle	1.081
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]	24.810	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.077	0.283
Number of reflections	235634
<I/σ(I)>	10	2.3
Completeness [%]	92.6	66.6
Redundancy	3.9	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	288	10% PEG 8000, 100 MM BIS-TRIS, 200 MM MGCL2, 100 MM NACL, 10 MM DTT , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K