8FQT

Apo ADC-219 beta-lactamase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-23
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.127130
Spacegroup name	P 21 21 21
Unit cell lengths	43.041, 83.567, 206.469
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.950 - 1.890
R-factor	0.1979
Rwork	0.196
R-free	0.24150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u0x
RMSD bond length	0.006
RMSD bond angle	0.791
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (v1.19)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.460	1.900
High resolution limit [Å]	1.890	1.890
Rpim	0.043	0.303
Number of reflections	59691	608
<I/σ(I)>	9.6	2.2
Completeness [%]	98.1	100
Redundancy	6.2
CC(1/2)	0.997	0.885

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	0.1 M SPG, 25% w/v PEG 1500