7RGE

Crystal structure of phosphoadenylyl-sulfate (PAPS) reductase from Candida auris, phosphate complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2019-11-21
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	109.508, 132.000, 44.617
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.260 - 2.380
R-factor	0.1877
Rwork	0.186
R-free	0.22110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oq2
RMSD bond length	0.003
RMSD bond angle	0.582
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.420
High resolution limit [Å]	2.380	2.380
Rmerge	0.059	0.863
Rpim	0.027	0.437
Number of reflections	13451	662
<I/σ(I)>	24.78	1.06
Completeness [%]	100.0
Redundancy	6
CC(1/2)		0.875

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.1 M sodium chloride, 0.1 M HEPES, pH 7.5, 25% w/v PEG3350, 1 mM AMP