5IMW

Trapped Toxin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 21 2 21
Unit cell lengths	84.465, 101.565, 175.735
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.135 - 2.890
R-factor	0.2603
Rwork	0.258
R-free	0.29500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1s3r
RMSD bond length	0.003
RMSD bond angle	0.540
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	48.135
High resolution limit [Å]	2.890
Number of reflections	34453
<I/σ(I)>	10.9
Completeness [%]	98.8
Redundancy	14.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	MES, NaCl, PEG 8000