8IY4

Crystal structure of Class A beta-lactamase BlaA WT - complex with Meropenem

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-05
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.54
Spacegroup name	C 1 2 1
Unit cell lengths	91.774, 72.619, 43.707
Unit cell angles	90.00, 94.95, 90.00

Refinement procedure

Resolution	24.530 - 2.000
Rwork	0.202
R-free	0.26410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.415
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0405)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	24.530	24.520	2.050
High resolution limit [Å]	2.000	2.050	2.000
Rmerge	0.199	0.088	0.655
Rmeas	0.220	0.101	0.728
Rpim	0.091	0.049	0.311
Number of reflections	19371	218	1398
<I/σ(I)>	8.2
Completeness [%]	99.9
Redundancy	10.9	6.8	10.4
CC(1/2)	0.991	0.994	0.889

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1 M TRIS hydrochloride pH 8.5, 2.0 M Ammonium phosphate monobasic