3T2P

E. coli (lacZ) beta-galactosidase (S796D) in complex with IPTG

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	2006-05-30
Detector	ADSC QUANTUM 210
Wavelength(s)	1.11587
Spacegroup name	P 21 21 21
Unit cell lengths	150.869, 166.171, 200.786
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.670 - 2.600
R-factor	0.18491
Rwork	0.184
R-free	0.24181
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	1.035
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	200.000	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.076	0.382
Number of reflections	153180
<I/σ(I)>	22.2	2.4
Completeness [%]	98.7	84.3
Redundancy	6.7	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	288	8-10% PEG 8000, 100 MM BIS-TRIS, 200 MM MGCL2, 100 MM NACL, 10 MM DTT, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 288.0K