9JAB

Transition State Mimic(GMPK in complex with ADP, GMP , Mg2+, K+ and AlF4-)

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	2024-03-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.98655
Spacegroup name	P 1
Unit cell lengths	33.632, 44.202, 66.695
Unit cell angles	72.73, 85.35, 78.76

Refinement procedure

Resolution	40.520 - 2.750
R-factor	0.2296
Rwork	0.227
R-free	0.27740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lvg
RMSD bond length	0.002
RMSD bond angle	0.615
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]	40.520	2.900
High resolution limit [Å]	2.750	2.750
Rmerge	0.059	0.269
Rmeas	0.079	0.359
Rpim	0.052	0.235
Total number of observations	18505	2662
Number of reflections	9129	1310
<I/σ(I)>	7.9	2
Completeness [%]	97.8
Redundancy	2	2
CC(1/2)	0.996	0.904

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 5.2