7P52

GlnK1 from Methanocaldococcus jannaschii with Mg-ATP and 2-oxoglutarate at a resolution of 1.2 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	2020-02-25
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.99187
Spacegroup name	H 3 2
Unit cell lengths	89.053, 89.053, 98.059
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.526 - 1.200
R-factor	0.1324
Rwork	0.131
R-free	0.15540
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]	44.526	1.240
High resolution limit [Å]	1.200	1.200
Rmerge	0.057	1.209
Rmeas	0.060	1.290
Rpim	0.020	0.443
Number of reflections	31673	1585
<I/σ(I)>	17.8	1.7
Completeness [%]	89.8	99.6
Redundancy	9.4	8.3
CC(1/2)	0.999	0.642

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291.15	GlnK1 was crystallized at 11.2 mg/ml in 25 mM Tris/HCl pH 7.6, 10% glycerol, 2mM dithiothreitol and 500mM NaCl on 96-Well MRC 2-Drop Crystallization Plates in polystyrene (SWISSCI). GlnK1 was cocrystallized with 2 mM ATP, 2 mM 2-oxoglutarate and 2 mM MgCl2. 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: 20% PEG 3,350, 100 mM Bis-Tris propane pH 8.5 and 200 mM sodium nitrate.