6V73

Crystal Structure of Metallo Beta Lactamase from Erythrobacter litoralis with beta mercaptoethanol in the active site

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	2016-12-19
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97918
Spacegroup name	P 63 2 2
Unit cell lengths	121.139, 121.139, 90.551
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.650 - 2.400
R-factor	0.183
Rwork	0.180
R-free	0.24060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6v72
RMSD bond length	0.007
RMSD bond angle	0.818
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.440
High resolution limit [Å]	2.400	2.400
Number of reflections	15857	735
<I/σ(I)>	24.5	1
Completeness [%]	99.6
Redundancy	15.1
CC(1/2)		0.527

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	3.5M Sodium formate; 0.1M TRIS pH 8.5