1C48

MUTATED SHIGA-LIKE TOXIN B SUBUNIT (G62T)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12B
Synchrotron site	NSLS
Beamline	X12B
Temperature [K]	100
Detector technology	CCD
Collection date	1998-03-01
Spacegroup name	C 1 2 1
Unit cell lengths	93.972, 61.928, 60.327
Unit cell angles	90.00, 114.12, 90.00

Refinement procedure

Resolution	55.000 - 1.600
R-factor	0.196
Rwork	0.196
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bos
RMSD bond length	0.019
RMSD bond angle	1.820
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.3D)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.000	1.650
High resolution limit [Å]	1.600	1.600
Rmerge	0.037	0.305
Number of reflections	41266
<I/σ(I)>	3.7	2.1
Completeness [%]	98.8	98.7
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5		pH 8.5