9FVR

Transcription repressor NrdR from E. coli, ATP/dATP-bound state, SeMet protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	70.792, 73.832, 138.046
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.850 - 3.099
R-factor	0.227
Rwork	0.224
R-free	0.27380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.830
Data reduction software	XDS (Jan 31, 2020 BUILT=20200131)
Data scaling software	XDS (Jan 31, 2020 BUILT=20200131)
Phasing software	PHASER
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.100	3.370
High resolution limit [Å]	3.099	3.099
Rmerge	0.215	2.082
Rmeas	0.224	2.170
Rpim	0.062	0.606
Number of reflections	10661	534
<I/σ(I)>	8.4	1.4
Completeness [%]	92.6	17.8
Redundancy	13.1	12.3
CC(1/2)	0.995	0.616

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1 M HEPES pH 7.5, 0.2 M MgCl2, 12.5% (w/v) PEG3350