8BQF

Adenylate Kinase L107I MUTANT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-20
Detector	RIGAKU HyPix-3000
Wavelength(s)	1.3405
Spacegroup name	P 2 21 21
Unit cell lengths	77.975, 84.490, 218.493
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.040 - 2.050
R-factor	0.22073
Rwork	0.219
R-free	0.25789
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7F7U
RMSD bond length	0.009
RMSD bond angle	1.885
Data reduction software	CrysalisPro
Data scaling software	CrysalisPro
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.040	2.123
High resolution limit [Å]	2.050	2.050
Rmerge	0.104	0.404
Rmeas	0.112	0.435
Rpim	0.039	0.159
Number of reflections	93318	8992
<I/σ(I)>	20.47	4.39
Completeness [%]	99.7	100
Redundancy	8.1	7.4
CC(1/2)	0.995	0.931

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	292	7.5% PEG 3,350, 7.5% PEG 4,000, 7.5% PEG 2,000, 7.5% PEG 5,000 monomethyl ether, 0.07M ammonium nitrate, 2.5% ethylene glycol and 0.05M MES pH=7.