7FDP

Crystal structure of PirB 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	2019-10-17
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.979470
Spacegroup name	P 21 21 21
Unit cell lengths	73.802, 89.274, 124.657
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.520 - 2.100
R-factor	0.1937
Rwork	0.192
R-free	0.23140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3x0u
RMSD bond length	0.002
RMSD bond angle	0.524
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.620	47.620	2.160
High resolution limit [Å]	2.100	8.910	2.100
Rmerge	0.148	0.067	0.632
Rmeas	0.159	0.073	0.685
Rpim	0.059	0.029	0.261
Number of reflections	48762	734	3859
<I/σ(I)>	9.9	25.4	2.9
Completeness [%]	99.8	99.4	98.4
Redundancy	7.2	6.3	6.7
CC(1/2)	0.995	0.995	0.824

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	4.2	293	0.2 M sodium chloride, 0.1 M phosphate-Citrate buffer pH 4.2, 20% PEG8000