6E0S

Crystal structure of MEM-A1, a subclass B3 metallo-beta-lactamase isolated from a soil metagenome library

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2017-03-10
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	45.313, 68.649, 78.588
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.361 - 1.780
R-factor	0.1575
Rwork	0.154
R-free	0.19530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5iqk
RMSD bond length	0.011
RMSD bond angle	0.950
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((dev_3092: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.810
High resolution limit [Å]	1.780	1.780
Rmerge	0.095	0.979
Rpim	0.044	0.477
Number of reflections	24163	1192
<I/σ(I)>	24.97	2.09
Completeness [%]	99.9	100
Redundancy	5.5	5.1
CC(1/2)		0.639

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	50 mM pyrophosphate+tetrapolyphosphate, 0.1 M HEPES pH 7.5, 25% PEG3350, cryoprotectant paratone