5K27

Crystal structure 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	132.354, 132.354, 116.773
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.420 - 2.580
R-factor	0.2162
Rwork	0.214
R-free	0.25790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1u2x
RMSD bond length	0.007
RMSD bond angle	1.009
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)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	53.420	53.420	2.690
High resolution limit [Å]	2.580	8.940	2.580
Rmerge	0.073	0.031	0.853
Number of reflections	33041
<I/σ(I)>	14.8
Completeness [%]	99.5	97	99.2
Redundancy	5.8	5.3	5.4
CC(1/2)	0.998

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.