7PA5

Complex between the beta-lactamase CMY-2 with an inhibitory nanobody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97856
Spacegroup name	P 62 2 2
Unit cell lengths	95.120, 95.120, 242.940
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.885 - 3.184
R-factor	0.209
Rwork	0.207
R-free	0.25020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ZC2 (CMY-2) 6GKU (nanobody)
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.885	48.885	3.370
High resolution limit [Å]	3.180	9.380	3.180
Rmerge	0.709	0.129	3.426
Rmeas	0.719	0.131	3.477
Total number of observations	437933
Number of reflections	11589	546	1758
<I/σ(I)>	7.09	25.84	1.28
Completeness [%]	99.6	99.1	97.9
Redundancy	37.789	31.923	34.761
CC(1/2)	0.999	1.000	0.429

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	PEG400, glycerol, Ammonium tartarate, tris HCl,