1OTO

Calcium-binding mutant of the internalin B LRR domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2000-02-10
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	43.988, 56.125, 83.414
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.960
R-factor	0.194
Rwork	0.189
R-free	0.23000 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1d0b
RMSD bond length	0.005
RMSD bond angle	1.156
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.030
High resolution limit [Å]	1.960	1.960
Rmerge	0.053 *	0.493 *
Number of reflections	15339
<I/σ(I)>	24.23	3.18
Completeness [%]	99.0 *	99.8
Redundancy	4.97

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.5	298	Marino, M., (1999) Mol.Cell, 4, 1063. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	20 (%)
2	1	reservoir		200 (mM)
3	1	reservoir	MES	100 (mM)
4	1	reservoir	dithiothreitol	1 (mM)