7VQJ

Crystal structure of NDM-1 in complex with hydrolyzed 1u.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	39.385, 74.188, 147.982
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.060 - 2.450
R-factor	0.1977
Rwork	0.195
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ypn
RMSD bond length	0.008
RMSD bond angle	1.208
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.18.1_3865)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.480
High resolution limit [Å]	2.440	2.440
Rmerge	0.153	0.718
Rpim	0.095	0.408
Number of reflections	16684	784
<I/σ(I)>	6.42	1.3
Completeness [%]	99.4	95.1
Redundancy	5.4	4.1
CC(1/2)	0.986

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 3350, ammonium sulfate