7DE3

Human adenylate kinase 1 (hAK1) mutant-R128W

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2020-06-15
Detector	MAR CCD 130 mm
Wavelength(s)	0.97852
Spacegroup name	P 41 21 2
Unit cell lengths	95.167, 95.167, 47.961
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.647 - 2.197
Rwork	0.205
R-free	0.25950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3adk
Refinement software	PHENIX (1.16-3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.647	2.275
High resolution limit [Å]	2.197	2.197
Rmerge		0.154
Number of reflections	11451	22139
<I/σ(I)>	17
Completeness [%]	97.7
Redundancy	13.5
CC(1/2)	0.938

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	PEG 3350,0.2M Ammonium acetate