7P4Y

GlnK2 from Methanothermococcus thermolithotrophicus in the apo state at a resolution of 2.3 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 PILATUS 2M-F
Wavelength(s)	0.99187
Spacegroup name	P 2 21 21
Unit cell lengths	103.461, 103.460, 178.491
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.160 - 2.300
R-factor	0.233
Rwork	0.222
R-free	0.24450
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]	73.160	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.133	1.151
Rmeas	0.144	1.259
Rpim	0.055	0.508
Number of reflections	70360	3519
<I/σ(I)>	10.2	1.5
Completeness [%]	96.2	81.3
Redundancy	6.7	6
CC(1/2)	0.998	0.671

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291.15	MtGlnK2 apo was crystallized at a concentration of 30 mg/ml in 25 mM Tris/HCl pH 7.6, 10% glycerol, 2mM dithiothreitol and 500 mM NaCl on a 96-Well MRC 2-Drop Crystallization Plates in polystyrene (SWISSCI). Drop of 0.6 ul of protein was mixed with 0.6 ul of the crystallization solution. The reservoir contained 90 ul of the following crystallization solution 35 % w/v Pentaerythritol ethoxylate (15/4 EO/OH) and 100 mM HEPES pH 7.5.