7O0C

Human phosphomannomutase 2 (PMM2) wild-type in apo state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97912
Spacegroup name	P 65 2 2
Unit cell lengths	70.582, 70.582, 360.801
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.400 - 2.800
R-factor	0.2193
Rwork	0.217
R-free	0.26840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2amy
RMSD bond length	0.009
RMSD bond angle	1.138
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.400	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.265
Number of reflections	13763	2003
<I/σ(I)>	9.5	1.8
Completeness [%]	96.5	100
Redundancy	17.3	19
CC(1/2)	0.994	0.779

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	Drops made by mixing 1 microliter of protein solution and 1 microliter of crystallization depoit solution. Protein solution contained 5 mg/ml protein in 20 mM Hepes pH 7.5 and 0.2 M NaCl. Crystallization solution contained 0.3-0.4 M MgCl2, 24% PEG3350 and 0.1 M HEPES pH 7.5