4DUV

E. coli (lacZ) beta-galactosidase (G974A) 2-deoxy-galactosyl-enzyme and bis-Tris complex

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	150.570, 167.731, 201.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	86.410 - 2.100
R-factor	0.15911
Rwork	0.158
R-free	0.20640
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1jyx
RMSD bond length	0.007
RMSD bond angle	1.064
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]	200.000	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.110	0.482
Number of reflections	295878
<I/σ(I)>	12.7	3.8
Completeness [%]	100.0	100
Redundancy	7.6	7.6

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