8GKQ

Crystal Structure Analysis of Aspergillus fumigatus alkaline protease

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	59.255, 66.074, 86.794
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.570 - 1.650
R-factor	0.2086
Rwork	0.207
R-free	0.24680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.467
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	52.573	36.273	1.740
High resolution limit [Å]	1.650	5.220	1.650
Rmerge		0.031	1.068
Rmeas	0.093	0.037	1.307
Rpim	0.052	0.020	0.741
Total number of observations	122123	4082	17935
Number of reflections	40727	1318	5985
<I/σ(I)>	6.8	20.4	1
Completeness [%]	98.1	91.8	99.7
Redundancy	3	3.1	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		289	PEG 1000, PEG 3350, MPD, MOPS/HEPES