8Z6P

Crystal structure of Procerain-B from Calotropis gigantea

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	CCD
Collection date	2024-03-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97893
Spacegroup name	P 1 21 1
Unit cell lengths	31.386, 91.361, 64.484
Unit cell angles	90.00, 89.98, 90.00

Refinement procedure

Resolution	30.400 - 1.500
R-factor	0.1527
Rwork	0.149
R-free	0.18120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.777
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.280	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.069	0.936
Rmeas	0.075	1.033
Rpim	0.027	0.427
Number of reflections	57532	2403
<I/σ(I)>	18.7	1.7
Completeness [%]	99.0	84.4
Redundancy	7.4	5.5
CC(1/2)	0.999	0.461

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	4.6	293	0.2 M phospho-citrate buffer, pH 4.6, 65% PEG 400