8JK3

Crystal Structure of Bel-1 Extended Spectrum Beta-lactamase in Hexagonal Form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-01
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.5418
Spacegroup name	P 65
Unit cell lengths	121.192, 121.192, 72.128
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.126 - 1.500
Rwork	0.150
R-free	0.20880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	2.009
Data reduction software	CrysalisPro
Data scaling software	CrysalisPro
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.126	8.220
High resolution limit [Å]	1.500	1.500
Number of reflections	96340	8448
<I/σ(I)>	18.4
Completeness [%]	99.9
Redundancy	7.6
CC(1/2)	0.990	0.418

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.2M Magnesium chloride hexahydrate, 0.1M HEPES sodium pH 7.5, 30% v/v 2-Propanol