9NIQ

Structure of Candida albicans trehalose-6-phosphate synthase in complex with 4456

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 64 2 2
Unit cell lengths	117.553, 117.553, 134.011
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	58.780 - 3.350
R-factor	0.2541
Rwork	0.250
R-free	0.28930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.534
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (v1.18.2-3874-000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.780	3.470
High resolution limit [Å]	3.350	3.350
Number of reflections	75865	7778
<I/σ(I)>	14.87
Completeness [%]	91.7
Redundancy	9.9
CC(1/2)	0.998	0.932

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293.15	0.2 M magnesium sulfate, 0.1 M Tris-HCl pH 8.5 and 40% PEG400