7P4V

GlnK1 from Methanothermococcus thermolithotrophicus with dADP at a resolution of 1.94 A

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	2019-12-17
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.00003
Spacegroup name	P 3 2 1
Unit cell lengths	87.296, 87.296, 46.010
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.300 - 1.940
R-factor	0.198
Rwork	0.197
R-free	0.22570
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]	75.601	2.148
High resolution limit [Å]	1.940	1.940
Rmerge	0.053	1.711
Rmeas	0.055	1.759
Rpim	0.013	0.403
Number of reflections	10108	502
<I/σ(I)>	27.3	1.8
Completeness [%]	89.1	60.2
Redundancy	19.3	18.6
CC(1/2)	0.999	0.773

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291.15	GlnK1 crystallized at a concentration of 33 mg/ml in 25 mM TrisHCl pH 7.6, 10% glycerol, 2mM dithiothreitol and 500mM NaCl . Drop of 0.6 ul of protein was mixed with 0.6 ul of the crystallization solution in a 96-Well MRC 2-Drop Crystallization Plates in polystyrene (SWISSCI). The reservoir contained 90 ul of the following crystallization solution: 35 % w/v Pentaerythritol propoxylate (17/8 PO/OH), 100 mM MES pH 6.5, 200 mM Ammonium sulfate.