8U45

Crystal Structure Analysis of Aspergillus fumigatus alkaline protease

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.77115
Spacegroup name	P 1 21 1
Unit cell lengths	42.910, 94.592, 52.925
Unit cell angles	90.00, 103.20, 90.00

Refinement procedure

Resolution	30.530 - 2.100
R-factor	0.19329
Rwork	0.191
R-free	0.22958
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.767
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.210	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.111	0.874
Rmeas	0.136	1.000
Rpim	0.062	0.537
Total number of observations	105471
Number of reflections	22839	2900
<I/σ(I)>	5.5
Completeness [%]	95.1
Redundancy	4.6	3.7
CC(1/2)	0.993	0.331

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	PEG 1000, PEG 3350, MPD; L-glutamate, DL-alanine, glycine, DL-lysine, and DL-serine; MOPS/HEPES, pH 7.5