6RMF

Crystal structure of NDM-1 with VNRX-5133

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.96863
Spacegroup name	P 21 21 21
Unit cell lengths	70.821, 73.837, 77.681
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.698 - 1.510
R-factor	0.147
Rwork	0.146
R-free	0.17240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3spu
RMSD bond length	0.009
RMSD bond angle	0.948
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.15.2_3472: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.340	1.540
High resolution limit [Å]	1.510	1.510
Rpim	0.103	1.304
Number of reflections	64647	3144
<I/σ(I)>	8	2.3
Completeness [%]	100.0	100
Redundancy	11.9	11.6
CC(1/2)	0.990	0.421

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	0.1M bis-tris pH 5.8, 32% PEG 3350, 0.15M NH4SO4