9QCI

Crystal structure of PhoC mutant acid phosphatase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	P 32 2 1
Unit cell lengths	117.716, 117.716, 97.625
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	70.510 - 2.000
R-factor	0.1877
Rwork	0.186
R-free	0.22510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.170
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.510	2.050
High resolution limit [Å]	1.998	2.000
Rpim	0.029	0.858
Number of reflections	53180	3726
<I/σ(I)>	12.17	0.37
Completeness [%]	100.0
Redundancy	20.6
CC(1/2)	0.999	0.316

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	Morpheus G12 molecular dimensions