7TDV

Crystal structure of S. aureus glutamine synthetase in Met-Sox-P/ADP transition state complex

This is a non-PDB format compatible entry.

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	2020-12-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.09
Spacegroup name	P 41 21 2
Unit cell lengths	154.615, 154.615, 299.295
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.890 - 2.920
R-factor	0.1997
Rwork	0.198
R-free	0.25610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lni
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.890	3.020
High resolution limit [Å]	2.920	2.920
Rpim	0.049	0.517
Number of reflections	79309	7783
<I/σ(I)>	19.1	2.1
Completeness [%]	99.9
Redundancy	28
CC(1/2)	0.999	0.744

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		273	28% Peg 400, 0.2 M calcium chloride, 0.1 M HEPES 7.5