9G46

The structure of Candida albicans phosphoglucose isomerae (CaPGI) in complex with fragments

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-03
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.95
Spacegroup name	P 21 21 21
Unit cell lengths	86.769, 101.170, 133.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.820 - 1.440
R-factor	0.15581
Rwork	0.155
R-free	0.17904
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.752
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.820	1.460
High resolution limit [Å]	1.440	1.440
Number of reflections	171681	831
<I/σ(I)>	17.8
Completeness [%]	80.2
Redundancy	9.9
CC(1/2)	0.999	0.449

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M MgCl2, 0.1 M Hepes-NaOH pH 7.0, 21 % PEG4000