6TBH

Structure of a beta galactosidase with inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-28
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.91587
Spacegroup name	P 1
Unit cell lengths	99.103, 115.386, 115.723
Unit cell angles	90.21, 89.99, 89.85

Refinement procedure

Resolution	81.860 - 1.500
R-factor	0.1337
Rwork	0.131
R-free	0.18220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4d1i
RMSD bond length	0.017
RMSD bond angle	1.960
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.000	1.530
High resolution limit [Å]	1.500	1.500
Number of reflections	789757	38411
<I/σ(I)>	5.9
Completeness [%]	96.2
Redundancy	2.2
CC(1/2)	0.986	0.604

Crystallization Conditions

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