6TBJ

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)	0.97949
Spacegroup name	P 1
Unit cell lengths	99.416, 115.786, 116.186
Unit cell angles	89.93, 90.08, 89.99

Refinement procedure

Resolution	63.210 - 1.500
R-factor	0.1461
Rwork	0.145
R-free	0.16440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4d1i
RMSD bond length	0.014
RMSD bond angle	1.837
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.210	1.530
High resolution limit [Å]	1.500	1.500
Number of reflections	793061	38760
<I/σ(I)>	4.9
Completeness [%]	95.6
Redundancy	1.8
CC(1/2)	0.982	0.585

Crystallization Conditions

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