7ZTJ

Penicillium expansum antifungal protein chimera C-ter

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	80
Detector technology	PIXEL
Collection date	2021-07-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 32 2 1
Unit cell lengths	45.923, 45.923, 43.031
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.770 - 1.300
R-factor	0.1332
Rwork	0.132
R-free	0.16660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ztf
RMSD bond length	0.013
RMSD bond angle	1.689
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.770	43.031	1.370
High resolution limit [Å]	1.300	4.110	1.300
Rmerge		0.042	0.390
Rmeas	0.057	0.044	0.405
Rpim	0.013	0.011	0.106
Total number of observations	241982	8076	27122
Number of reflections	13294	476	1908
<I/σ(I)>	26	59.2	5.5
Completeness [%]	99.9	100	99.6
Redundancy	18.2	17	14.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	70% MPD, 0.1M Hepes pH 7.5