9QCJ

Crystal structure of PhoC wild type 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	2024-02-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976
Spacegroup name	P 32 2 1
Unit cell lengths	116.380, 116.380, 94.540
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.390 - 2.240
R-factor	0.2064
Rwork	0.205
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.027
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]	50.390	2.300
High resolution limit [Å]	2.240	2.240
Rpim	0.038	0.942
Number of reflections	49424	3392
<I/σ(I)>	7.83	0.25
Completeness [%]	100.0
Redundancy	19.6
CC(1/2)	0.999	0.327

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1M Phosphate citrate pH 5.5 30% v/v Peg smear low