7PJC

The structure of Candida albicans phosphoglucomutase with isothiazolone modification on Cys359

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	2018-11-28
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	66.744, 86.444, 110.154
Unit cell angles	90.00, 92.74, 90.00

Refinement procedure

Resolution	67.970 - 2.110
R-factor	0.192
Rwork	0.189
R-free	0.25530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7piz
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.975	2.339
High resolution limit [Å]	2.110	2.110
Number of reflections	47519	2376
<I/σ(I)>	4
Completeness [%]	93.0
Redundancy	3.2
CC(1/2)	0.993	0.855

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		288.15	200 mM lithium sulphate monohydrate, 100 mM Tris-HCl pH 8.5, 30% w/v polyethylene glycol 4,000