7F7D

Crystal structure of Non-specific class-C acid phosphatase from Sphingobium sp. RSMS bound to Adenosine at pH 5.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2018-10-07
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.979500
Spacegroup name	I 41 3 2
Unit cell lengths	167.937, 167.937, 167.937
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.980 - 2.200
R-factor	0.1667
Rwork	0.165
R-free	0.20150
Structure solution method	AB INITIO PHASING
RMSD bond length	0.009
RMSD bond angle	0.893
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MR-Rosetta
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.880	2.270
High resolution limit [Å]	2.200	2.200
Number of reflections	20809	1778
<I/σ(I)>	13.7
Completeness [%]	100.0
Redundancy	13.1
CC(1/2)	0.997	0.875

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		294	1M Ammonium sulphate, 0.1 M Bis-tris pH 5.5, 1% PEG 3350