8FQR

Apo ADC-212 beta-lactamase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2021-03-23
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	49.388, 69.805, 55.124
Unit cell angles	90.00, 114.96, 90.00

Refinement procedure

Resolution	49.980 - 1.240
R-factor	0.1592
Rwork	0.158
R-free	0.17700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u0x
RMSD bond length	0.007
RMSD bond angle	0.961
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]	49.980	1.310
High resolution limit [Å]	1.240	1.240
Rmerge	0.029	0.455
Rmeas	0.034	0.539
Rpim	0.018	0.285
Total number of observations	297334	40509
Number of reflections	83353	11584
<I/σ(I)>	18	2.5
Completeness [%]	87.4
Redundancy	3.6	3.5
CC(1/2)	0.999	0.820

Crystallization Conditions

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