7F7A

Crystal structure of Non-specific class-C acid phosphatase from Sphingobium sp. RSMS bound to Adenine at pH 9

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	2018-08-05
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.979500
Spacegroup name	I 41 3 2
Unit cell lengths	168.581, 168.581, 168.581
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.060 - 2.700
R-factor	0.1951
Rwork	0.192
R-free	0.25070
Structure solution method	AB INITIO PHASING
RMSD bond length	0.002
RMSD bond angle	0.452
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]	45.060	2.830
High resolution limit [Å]	2.700	2.700
Number of reflections	11574	1506
<I/σ(I)>	16.5
Completeness [%]	100.0
Redundancy	36.4
CC(1/2)	0.998	0.792

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	9	294	0.1 M Bicine pH 9.0, 20% PEG 6000