6OP6

Structure of VIM-20 in the reduced state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2019-03-23
Detector	RDI CMOS_8M
Wavelength(s)	1.0000
Spacegroup name	I 2 2 2
Unit cell lengths	64.460, 74.256, 78.693
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.346 - 1.250
R-factor	0.1844
Rwork	0.183
R-free	0.20850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nq2
RMSD bond length	0.005
RMSD bond angle	0.791
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.350	1.260
High resolution limit [Å]	1.250	1.250
Number of reflections	360182	5174
<I/σ(I)>	19.2	0.7
Completeness [%]	99.9	99.7
Redundancy	6.9	6.6
CC(1/2)	0.990	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.2 M magnesium chloride and 20 % (w/v) PEG 3350