1BOS

SHIGA-LIKE TOXIN COMPLEXED WITH ITS RECEPTOR

This is a non-PDB format compatible entry.

Experimental procedure

Source type	ROTATING ANODE
Source details	MACSCIENCE M18X
Temperature [K]	287
Detector technology	AREA DETECTOR
Collection date	1994-07
Detector	SIEMENS
Spacegroup name	P 21 21 21
Unit cell lengths	127.500, 97.700, 164.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.000 - 2.800
R-factor	0.17
Rwork	0.170
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1BOV
RMSD bond length	0.015
RMSD bond angle	25.000 *
Data reduction software	XENGEN
Data scaling software	XENGEN
Phasing software	X-PLOR (3.8)
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.000	2.980
High resolution limit [Å]	2.800	2.800
Rmerge	0.176	0.476
Total number of observations	113473 *
Number of reflections	41759
<I/σ(I)>	3.37	0.581
Completeness [%]	81.6	57.3
Redundancy	2.7	1.75

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6		pH 6.0