7RH8

Crystal structure of Fur1p from Candida albicans, in complex with UTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97869
Spacegroup name	P 64 2 2
Unit cell lengths	145.967, 145.967, 51.014
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.780 - 1.690
R-factor	0.1631
Rwork	0.162
R-free	0.19170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jls
RMSD bond length	0.019
RMSD bond angle	1.708
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.730
High resolution limit [Å]	1.690	1.700
Rmerge	0.080	0.844
Rpim	0.022	0.262
Number of reflections	35544	1496
<I/σ(I)>	29.73	1.6
Completeness [%]	98.0	84.3
Redundancy	13.4
CC(1/2)	1.000	0.949

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	298	25% (w/v) PEG3350, 0.2 M NaCl, 0.1 M sodium citrate pH 5.6