9JAH

GMPK in complex with GMP, ATPgammaS and K+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97923
Spacegroup name	P 1
Unit cell lengths	33.864, 44.448, 67.306
Unit cell angles	72.26, 84.44, 77.11

Refinement procedure

Resolution	41.440 - 2.800
R-factor	0.2248
Rwork	0.223
R-free	0.26870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lvg
RMSD bond length	0.002
RMSD bond angle	0.491
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.19_4092: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.440	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.078	0.495
Rmeas	0.093	0.592
Rpim	0.050	0.319
Total number of observations	29060	4229
Number of reflections	8734	1268
<I/σ(I)>	10.7	2.5
Completeness [%]	97.5
Redundancy	3.3	3.3
CC(1/2)	0.995	0.886

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	35% PEG4000, 0.1 M ammonium acetate, 0.1 M trisodium citrate, pH 5.0