7R6U

Paracoccidioides americana Pb03 Calcium Binding Protein 1 (Cbp1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-29
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.11
Spacegroup name	P 41 21 2
Unit cell lengths	46.507, 46.507, 140.123
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.140 - 1.550
Rwork	0.212
R-free	0.23050
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	Unpublished Pt-derivative solved by MAD phasing
RMSD bond length	0.006
RMSD bond angle	0.757
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.140	1.605
High resolution limit [Å]	1.550	1.550
Rmerge	0.122
Rmeas	0.124
Rpim	0.025
Number of reflections	29005	43919
<I/σ(I)>	18.12
Completeness [%]	99.9	99.56
Redundancy	24.1
CC(1/2)	1.000	0.219

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.05M HEPES pH 6.5, 35% PEG 6000