5YPL

Crystal structure of NDM-1 bound to hydrolyzed imipenem representing an EP complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97845
Spacegroup name	P 21 21 21
Unit cell lengths	69.220, 73.760, 77.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.280 - 1.800
R-factor	0.1705
Rwork	0.169
R-free	0.20380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rl0
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.280	1.840
High resolution limit [Å]	1.800	1.800
Number of reflections	35229
<I/σ(I)>	16.8	2.55
Completeness [%]	94.0	64.8
Redundancy	6.36	4.44

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	28% (w/v) PEG3350, 0.1M Bis-Tris, pH 5.8, 0.2M ammonium sulfate