7K8K

Beta-lactamase mixed with Sulbactam, 60ms

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	EUROPEAN XFEL BEAMLINE SPB/SFX
Synchrotron site	European XFEL
Beamline	SPB/SFX
Temperature [K]	300
Detector technology	PIXEL
Collection date	2020-03-12
Detector	AGIPD
Wavelength(s)	1.1
Spacegroup name	P 1 21 1
Unit cell lengths	80.910, 99.530, 112.500
Unit cell angles	90.00, 108.44, 90.00

Refinement procedure

Resolution	27.470 - 2.700
R-factor	0.2187
Rwork	0.215
R-free	0.29250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6b5x
RMSD bond length	0.007
RMSD bond angle	1.670
Data reduction software	CrystFEL
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.570	2.720
High resolution limit [Å]	2.700	2.700
Number of reflections	45344	1800
<I/σ(I)>	4.27
Completeness [%]	100.0
Redundancy	463
CC(1/2)	0.970	0.210

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		300	Ammonium Phosphate