8XM2

The mutant crystal structure of phytase APPAmut9 from Yersinia intermedia

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	53.500, 70.450, 103.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.530 - 1.770
R-factor	0.1641
Rwork	0.162
R-free	0.21250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.840
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.530	1.830
High resolution limit [Å]	1.770	1.770
Number of reflections	38446	3452
<I/σ(I)>	17.49	3.82
Completeness [%]	98.9
Redundancy	9.3
CC(1/2)	0.998	0.955

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	5% pentanediol, 10% PEG 10000, 0.1M HEPES buffer pH7.5