7K8F

Beta-lactamase mixed with Ceftriaxone, 10ms

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	80.410, 98.160, 115.160
Unit cell angles	90.00, 109.76, 90.00

Refinement procedure

Resolution	24.891 - 2.600
R-factor	0.219445342651
Rwork	0.217
R-free	0.26443
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6b5x
RMSD bond length	0.003
RMSD bond angle	1.025
Data reduction software	CrystFEL
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.900	2.650
High resolution limit [Å]	2.600	2.600
Number of reflections	51595	2045
<I/σ(I)>	6.34
Completeness [%]	100.0
Redundancy	966
CC(1/2)	0.990	0.580

Crystallization Conditions

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