7EV5

Crystal structure of BLEG-1 B3 metallo-beta-lactamase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2019-07-19
Detector	RIGAKU
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	55.356, 55.356, 143.094
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.260 - 1.440
R-factor	0.1856
Rwork	0.184
R-free	0.20850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xf4
RMSD bond length	0.005
RMSD bond angle	0.804
Data reduction software	HKL-3000 (v714n)
Data scaling software	HKL-3000 (v714n)
Phasing software	PHENIX (1.16_3549-000)
Refinement software	PHENIX (1.16_3549-000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.460
High resolution limit [Å]	1.440	1.440
Rmerge	0.045	0.254
Number of reflections	40528	1991
<I/σ(I)>	28.5	4
Completeness [%]	98.0	97.9
Redundancy	5.1	3.1
CC(1/2)		0.899

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	NaI, PEG 3350