9JQ0

Acid phosphatase KpAP mutant - E104G

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	P 63 2 2
Unit cell lengths	124.710, 124.710, 97.280
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.210 - 1.930
R-factor	0.17917
Rwork	0.178
R-free	0.19772
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.589
Data reduction software	HKL-3000 (7.21)
Data scaling software	HKL-3000 (7.21)
Phasing software	PHASER (2.7.0)
Refinement software	REFMAC (5.8.0123)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.210	1.970
High resolution limit [Å]	1.930	1.930
Rmerge	0.192	1.800
Rpim		0.503
Number of reflections	34115	2242
<I/σ(I)>	15.8
Completeness [%]	100.0
Redundancy	30.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	300	0.2 M Ammonium acetate, 0.1 M BIS-TRIS, 45% (v/v) (+/-)-2-Methyl-2,4-pentanediol