5KKG

Crystal structure of E72A mutant of ancestral protein ancMT of ADP-dependent sugar kinases family

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-04-26
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.92
Spacegroup name	P 41 21 2
Unit cell lengths	132.529, 132.529, 117.438
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.269 - 2.608
R-factor	0.2249
Rwork	0.223
R-free	0.26100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5k27
RMSD bond length	0.002
RMSD bond angle	0.544
Data reduction software	XDS (Oct 15, 2015)
Data scaling software	Aimless (0.5.15)
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	59.270	59.270	2.720
High resolution limit [Å]	2.608	9.030	2.610
Rmerge	0.122	0.065	0.937
Number of reflections	31763
<I/σ(I)>	11.8
Completeness [%]	97.7	99.8	97.4
Redundancy	8.5	8.2	7.6
CC(1/2)	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	291	18 % (w/v) PEG 3350, 0.2 M NaI Protein 8 mg/mL, 20 mM F6P, 30 mM MgCl2, 25 mM HEPES pH 7.8, 20 mM AMP