7BRS

E.coli beta-galactosidase (E537Q) in complex with fluorescent probe KSA02

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13C1
Synchrotron site	NSRRC
Beamline	BL13C1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-07-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	246.653, 84.423, 240.650
Unit cell angles	90.00, 94.43, 90.00

Refinement procedure

Resolution	30.040 - 2.670
R-factor	0.2024
Rwork	0.200
R-free	0.24440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kuz
Data reduction software	HKL-2000
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.040	2.720
High resolution limit [Å]	2.670	2.670
Rmeas	0.156	0.701
Rpim	0.068	0.307
Number of reflections	140020	6908
<I/σ(I)>	12.7	2.8
Completeness [%]	99.6	99
Redundancy	1	1
CC(1/2)	0.870	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	100mM Bis-Tris, pH=5.9, 200mM NaCl, 200mM MgCl2, 10% PEG8000, 10% glycerol, 0.1M guanidine hydrochloride, 10mM DTT