3MV0

E. COLI (lacZ) BETA-GALACTOSIDASE (R599A) IN COMPLEX WITH D-GALCTOPYRANOSYL-1-ONE

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	149.840, 166.310, 201.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.230 - 2.200
Rwork	0.195
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dp0
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	Outer shell
Low resolution limit [Å]	21.230	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.111	0.615
Number of reflections	241025
<I/σ(I)>	10.7	2.4
Completeness [%]	94.9	80.7
Redundancy	6.02	4.36

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	288	PEG8000, NaCl, MgCl2, DTT, Bis-Tris, pH6.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K