7FCN

Crystal strcture of PirA insecticidal protein from Photorhabdus akhurstii

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	2021-07-07
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9789
Spacegroup name	P 41 2 2
Unit cell lengths	118.775, 118.775, 53.873
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.560 - 1.600
R-factor	0.1673
Rwork	0.166
R-free	0.19390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3x0t
RMSD bond length	0.007
RMSD bond angle	0.857
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.560	37.560	1.630
High resolution limit [Å]	1.600	8.760	1.600
Rmerge	0.074	0.018	1.353
Rmeas	0.076	0.019	1.379
Rpim	0.015	0.004	0.268
Number of reflections	51378	385	2520
<I/σ(I)>	34.6	106.7	3
Completeness [%]	100.0	99.1	100
Redundancy	26.1	19.8	26.2
CC(1/2)	1.000	1.000	0.857

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		293	0.8 M Potasium sodium tartrate tetrahydrate, 0.1 M Tris-Cl pH 8.5, 0.5 % (w/v) Polyethelene glycol MME