7F17

Crystal Structure of acid phosphatase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	70.199, 114.734, 193.125
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.370 - 2.800
R-factor	0.1982
Rwork	0.196
R-free	0.24060
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.641
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AutoSol
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.850
High resolution limit [Å]	2.800	7.590	2.800
Rmerge	0.103	0.072	0.334
Rmeas	0.107	0.076	0.351
Rpim	0.030	0.023	0.103
Total number of observations	248848
Number of reflections	19676	1073	934
<I/σ(I)>	7.2
Completeness [%]	99.9	99.5	98.9
Redundancy	12.6	11.4	11.1
CC(1/2)		0.998	0.969

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		288.5	0.1M BIS-TRIS pH 6.5, 50% v/v Polypropylene glycol P 40