7LZA

Activated 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	2019-04-03
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.920091
Spacegroup name	P 65 2 2
Unit cell lengths	97.370, 97.370, 118.650
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.850 - 2.030
Rwork	0.182
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uic 1kgs
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]	28.850	2.100
High resolution limit [Å]	2.030	2.030
Rmerge	0.052	0.406
Rmeas	0.059	0.463
Rpim	0.028	0.145
Number of reflections	21574	1981
<I/σ(I)>	15.3	3.5
Completeness [%]	97.5
Redundancy	4.4
CC(1/2)	0.998	0.916

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7	298	Protein stock (11.3 mg/mL in 500 mM NaCl, 5 mM MgCl2, 10% glycerol, 40 mM Tris pH 8) was mixed 10:1 (v/v) with 50 mM BeSO4, 350 mM NaF, and 70 mM MgCl2. 0.5 uL of this solution was mixed with an equal volume of 2.5 M NaCl, 0.1 M Tris pH 7, 0.2 M MgCl2 and incubated under Al's Oil