8FQP

apo ADC-162 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	2019-07-17
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	43.054, 83.633, 204.338
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.700 - 1.419
R-factor	0.1876
Rwork	0.186
R-free	0.21850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.992
Data reduction software	autoPROC (v1.0.5)
Data scaling software	Aimless (V0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (v1.19.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.401	1.536
High resolution limit [Å]	1.419	1.419
Rmerge	0.078	0.740
Rpim	0.035	0.344
Number of reflections	109418	5467
<I/σ(I)>	10.8	1.7
Completeness [%]	93.5	50.6
Redundancy	5.9	5.3
CC(1/2)	0.998	0.648

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	ADC-162 (3.5 mg/mL) in 25% w/v polyethylene glycol (PEG) 1500, 0.1 M succinate/ phosphate/ glycine