7K8E

Beta-lactamase mixed with Ceftriaxone, 5ms

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	2020-03-11
Detector	AGIPD
Wavelength(s)	1.33
Spacegroup name	P 1 21 1
Unit cell lengths	80.680, 98.780, 113.090
Unit cell angles	90.00, 108.60, 90.00

Refinement procedure

Resolution	24.695 - 2.400
R-factor	0.235226856236
Rwork	0.234
R-free	0.25041
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6b5x
RMSD bond length	0.003
RMSD bond angle	1.069
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	MOLREP
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.440
High resolution limit [Å]	2.400	2.400
Number of reflections	65232	1888
<I/σ(I)>	6.67
Completeness [%]	100.0
Redundancy	1758
CC(1/2)	0.990	0.270

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		300	Ammonium Phosphate