7K8H

Beta-lactamase mixed with Ceftriaxone, 50ms

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	24.829 - 2.600
R-factor	0.225263796382
Rwork	0.223
R-free	0.27501
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6b5x
RMSD bond length	0.003
RMSD bond angle	1.343
Data reduction software	CrystFEL
Data scaling software	HKL-2000
Phasing software	PHASER
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	50760	2045
<I/σ(I)>	5.5
Completeness [%]	100.0
Redundancy	749
CC(1/2)	0.970	0.270

Crystallization Conditions

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