7TEA

Crystal structure of S. aureus GlnR-DNA complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.09
Spacegroup name	I 21 21 21
Unit cell lengths	66.502, 99.265, 238.922
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.630 - 2.350
R-factor	0.2159
Rwork	0.213
R-free	0.26350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4r4e
RMSD bond length	0.009
RMSD bond angle	1.116
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.630	2.560	2.470
High resolution limit [Å]	2.350	2.470	2.350
Rpim	0.027	0.487
Number of reflections	31531	2606
<I/σ(I)>	21.4	1.9	0.7
Completeness [%]	98.6
Redundancy	6.2
CC(1/2)	1.000	0.818

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		275	50 mM sodium cacodylate pH 6.5, 13% PEG 8000, 0.15 M calcium acetate, 20% glycerol