7LZ9

Inactive form of VanR from S. coelicolor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-13
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.920089
Spacegroup name	P 65 2 2
Unit cell lengths	74.380, 74.380, 138.230
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.750 - 2.300
R-factor	0.2045
Rwork	0.202
R-free	0.25550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	unpublished
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.750	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.246	1.953
Rmeas	0.251	1.996
Rpim	0.049	0.145
Number of reflections	10592	1033
<I/σ(I)>	10.9	1.9
Completeness [%]	99.5	98.9
Redundancy	25.6	23.8
CC(1/2)	0.998	0.696

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		277	Mix protein (11.3 mg/mL in 500 mM NaCl, 5 mM MgCl2, 10% glycerol, 40 mM Tris pH 8) 1:1 with 0.2 M MgCl2, 0.1 M Tris pH=8.5, 30% w/v PEG400; incubate under Al's Oil.