5N08

Structure of the apo form of the NO response regulator NsrR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-09
Detector	DECTRIS EIGER R 4M
Wavelength(s)	0.9677
Spacegroup name	P 32 2 1
Unit cell lengths	159.530, 159.530, 76.560
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.139 - 3.901
R-factor	0.269802059181
Rwork	0.270
R-free	0.27673
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	holo-NsrR
RMSD bond length	0.005
RMSD bond angle	0.869
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.140	4.040
High resolution limit [Å]	3.900	3.900
Rmerge	0.180	2.274
Rpim	0.063	0.907
Number of reflections	10293	984
<I/σ(I)>	9.7	0.9
Completeness [%]	98.2	96.8
Redundancy	7.8	7.8
CC(1/2)	0.999	0.164

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.6	298	MPD, Tris, anaerobic