3T2O

E. coli (lacZ) beta-galactosidase (S796D)

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	2007-08-01
Detector	ADSC QUANTUM 315
Wavelength(s)	1.11587
Spacegroup name	P 21 21 21
Unit cell lengths	149.260, 168.360, 200.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.030 - 1.850
R-factor	0.15197
Rwork	0.152
R-free	0.18157
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	1.031
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	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.089	0.475
Number of reflections	425379
<I/σ(I)>	19	2.2
Completeness [%]	99.6	95.2
Redundancy	5.2	3.7

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