7K8L

Beta-lactamase, Unmixed

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)	1.33
Spacegroup name	P 1 21 1
Unit cell lengths	80.910, 99.540, 112.580
Unit cell angles	90.00, 108.43, 90.00

Refinement procedure

Resolution	24.885 - 2.800
R-factor	0.208246917348
Rwork	0.205
R-free	0.27024
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6b5x
RMSD bond length	0.009
RMSD bond angle	1.090
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.860
High resolution limit [Å]	2.800	2.800
Number of reflections	41870	1600
<I/σ(I)>	5.64
Completeness [%]	100.0
Redundancy	754
CC(1/2)	0.970	0.230

Crystallization Conditions

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