6TBK

Structure of a beta galactosidase with inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-01-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	98.952, 116.052, 115.576
Unit cell angles	89.84, 90.07, 89.98

Refinement procedure

Resolution	63.200 - 1.600
R-factor	0.1549
Rwork	0.152
R-free	0.21180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4d1i
RMSD bond length	0.017
RMSD bond angle	1.942
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]	63.200	1.630
High resolution limit [Å]	1.600	1.600
Number of reflections	650269	31475
<I/σ(I)>	4.6
Completeness [%]	95.8
Redundancy	2.1
CC(1/2)	0.995	0.678

Crystallization Conditions

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