6TBG

Structure of a beta galactosidase with inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-23
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	99.285, 115.735, 115.981
Unit cell angles	90.12, 90.00, 90.03

Refinement procedure

Resolution	115.980 - 1.500
R-factor	0.1401
Rwork	0.138
R-free	0.18170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4d1i
RMSD bond length	0.007
RMSD bond angle	1.444
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	115.980	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.049
Number of reflections	798304	38786
<I/σ(I)>	11
Completeness [%]	96.5	94.4
Redundancy	3.5	3.5
CC(1/2)	0.998	0.644

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	sodium acetate