3I3B

E.coli (lacz) Beta-Galactosidase (M542A) in Complex with D-Galactopyranosyl-1-on

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	2008-08-22
Detector	ADSC QUANTUM 210
Wavelength(s)	1.11587
Spacegroup name	P 21 21 21
Unit cell lengths	149.600, 168.420, 201.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.180 - 2.200
R-factor	0.194
Rwork	0.193
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jz5
RMSD bond length	0.006
RMSD bond angle	1.400
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS (1.2)

Data quality characteristics

	Overall
Low resolution limit [Å]	14.180
High resolution limit [Å]	2.000
Rmerge	0.219
Number of reflections	244667
<I/σ(I)>	5.7
Completeness [%]	95.8
Redundancy	4.88

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	288	PEG 8000, NaCl, MgCl2, DTT, Bis-Tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K