7CLE

Non-Specific Class-c acidphosphatase from Sphingobium sp. RSMS

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	2018-10-05
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.979500
Spacegroup name	I 41 3 2
Unit cell lengths	170.622, 170.622, 170.622
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.656 - 2.342
R-factor	0.1931
Rwork	0.192
R-free	0.22310
Structure solution method	AB INITIO PHASING
RMSD bond length	0.003
RMSD bond angle	0.617
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MR-Rosetta
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.600	2.420
High resolution limit [Å]	2.340	2.340
Number of reflections	18061	1632
<I/σ(I)>	15.7
Completeness [%]	99.4
Redundancy	28.9
CC(1/2)	0.998	0.998

Crystallization Conditions

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