6KUZ

E.coli beta-galactosidase (E537Q) in complex with fluorescent probe KSL01

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-06-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	248.174, 85.506, 243.052
Unit cell angles	90.00, 94.09, 90.00

Refinement procedure

Resolution	29.500 - 2.830
R-factor	0.18381
Rwork	0.182
R-free	0.22431
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f4h
RMSD bond length	0.013
RMSD bond angle	1.450
Data reduction software	HKL-2000
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (7.0.076)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.500	2.880
High resolution limit [Å]	2.830	2.830
Rmerge	0.122	0.357
Rmeas	0.163	0.447
Rpim	0.082	0.220
Number of reflections	118019	5767
<I/σ(I)>	6.7	3.2
Completeness [%]	97.1	96.7
Redundancy	1.5
CC(1/2)	0.991	0.953

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.9	291	10% PEG8000, 100mM Bis-Tris ph5,9, 200mM Nacl, 10mM DTT, 0.1M Guanidine Hydrochloride 10% glycerol