7P50

GlnK2 from Methanothermococcus thermolithotrophicus in complex with Mg-ATP and 2-oxoglutarate at a resolution of 1.16 A

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-26
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.99985
Spacegroup name	P 43 21 2
Unit cell lengths	58.238, 58.238, 229.304
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.330 - 1.160
R-factor	0.1178
Rwork	0.117
R-free	0.13660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j9d
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.330	1.259
High resolution limit [Å]	1.157	1.157
Rmerge	0.049	0.643
Rmeas	0.050	0.709
Rpim	0.010	0.286
Number of reflections	108153	5406
<I/σ(I)>	29.1	1.7
Completeness [%]	93.2	51.7
Redundancy	21.6	5.2
CC(1/2)	0.999	0.774

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291.15	MtGlnK2 was crystallized at a concentration of 30 mg/ml in 25 mM Tris/HCl pH 7.6, 10% v/v glycerol, 2 mM dithiothreitol and 500 mM NaCl. The protein was co-crystallized with 2 mM ATP, 2 mM 2-oxoglutarate and 2 mM MgCl2 on a 96-Well MRC 2-Drop Crystallization Plates in polystyrene (SWISSCI). Drop of 0.6 ul of protein sample was mixed with 0.6 ul of the crystallization solution. The reservoir contained 90 ul of the following crystallization solution: 25 w/v Pentaerythritol ethoxylate (3/4 EO/OH), 100 mM MES pH 6.5.