3MKW

Structure of sopB(155-272)-18mer complex, I23 form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Detector technology	CCD
Collection date	2008-10-12
Detector	ADSC QUANTUM 4r
Wavelength(s)	1.03
Spacegroup name	I 2 3
Unit cell lengths	200.460, 200.460, 200.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	100.230 - 2.990
R-factor	0.233
Rwork	0.233
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	the FL SopB-18mer I23
RMSD bond length	0.006
RMSD bond angle	1.100
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	3.100
High resolution limit [Å]	2.990	2.990
Rmerge	0.050	0.448
Number of reflections	26809
<I/σ(I)>	10.6	2
Completeness [%]	100.0	99
Redundancy	5	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	25.5% PEG 4000, 0.17 M lithium sulphate, 0.1 M Tris pH 8.0, 15% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 298K