7ZVM

Thermococcus barophilus phosphomannose isomerase protein structure at 1.6 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-20
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.98
Spacegroup name	I 2 2 2
Unit cell lengths	48.482, 52.410, 112.868
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.580 - 1.580
R-factor	0.1754
Rwork	0.173
R-free	0.21200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	alphafold2
RMSD bond length	0.017
RMSD bond angle	1.857
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.580	1.670
High resolution limit [Å]	1.580	1.580
Number of reflections	38008	1050
<I/σ(I)>	7.66
Completeness [%]	98.9
Redundancy	3.39
CC(1/2)	0.997	0.180

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	0.12 M monosaccharide mix, 0.1M buffer system 2 pH 8.5 and 50% V/V MPD (F7 Morpheus conditions)