7F7B

Crystal structure of Non-specific class-C acid phosphatase from Sphingobium sp. RSMS bound to BIS-TRIS 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	2018-10-06
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.979500
Spacegroup name	I 41 3 2
Unit cell lengths	168.380, 168.380, 168.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.100 - 2.340
R-factor	0.184
Rwork	0.182
R-free	0.21400
Structure solution method	AB INITIO PHASING
RMSD bond length	0.008
RMSD bond angle	0.941
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]	48.610	2.420
High resolution limit [Å]	2.340	2.340
Rmerge		1.083
Number of reflections	17523	1620
<I/σ(I)>	18.9
Completeness [%]	99.6
Redundancy	28.4
CC(1/2)	0.999	0.833

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