4MJT

Crystal structure of the oligomeric pore-forming toxin pro-Monalysin

Experimental procedure

Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Wavelength(s)	0.8726
Spacegroup name	C 1 2 1
Unit cell lengths	162.400, 146.200, 144.320
Unit cell angles	90.00, 122.80, 90.00

Refinement procedure

Resolution	29.340 - 2.850
R-factor	0.1838
Rwork	0.182
R-free	0.21620
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.990
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SHARP
Refinement software	BUSTER (2.11.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.000
High resolution limit [Å]	2.850	2.850
Rmerge	0.095	0.657
Number of reflections	65957
<I/σ(I)>	13	2.1
Completeness [%]	100.0	100
Redundancy	3.4	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	0.1M sodium acetate, 0.13M zinc acetate, 0.6-1.1M ammonium acetate, 2-7% PEG8000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K