6U10

Crystal Structure of the metallo-beta-lactamase L1 from Stenotrophomonas maltophilia in the complex with the inhibitor captopril

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-16
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97926
Spacegroup name	P 64 2 2
Unit cell lengths	104.537, 104.537, 98.723
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.220 - 1.400
R-factor	0.146
Rwork	0.145
R-free	0.16700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDBID 6U0Y
RMSD bond length	0.005
RMSD bond angle	0.820
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.104	0.928
Number of reflections	63060	3071
<I/σ(I)>	26.3	1.1
Completeness [%]	99.9	98.5
Redundancy	9.6	4.8
CC(1/2)		0.525

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	8 % (v/v) Tacimate pH 7, 20 % (w/v) PEG3350, pH 7.2