6HOX

Crystal structure of the binding domain of Paraclostridial Mosquitocidal Protein 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.984
Spacegroup name	C 1 2 1
Unit cell lengths	118.146, 38.686, 108.514
Unit cell angles	90.00, 116.74, 90.00

Refinement procedure

Resolution	48.460 - 1.950
R-factor	0.17756
Rwork	0.176
R-free	0.20930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kbb
RMSD bond length	0.008
RMSD bond angle	1.206
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MoRDa
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.460	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.097	0.725
Rmeas	0.135	1.009
Rpim	0.093	0.700
Number of reflections	31355	2098
<I/σ(I)>	8.3	1.6
Completeness [%]	96.9	94.4
Redundancy	3.5	3.3
CC(1/2)	0.995	0.641

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294.15	0.12 M Ethylene glycols, 0.1 M Buffer System 3 pH 8.5, 50 % v/v Precipitant Mix 4 (Morpheus screen, Molecular Dimensions)