1OTM

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	2000-02-11
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	45.296, 57.215, 84.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.930
R-factor	0.206
Rwork	0.201
R-free	0.24000 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1d0b
RMSD bond length	0.004
RMSD bond angle	1.180
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.000
High resolution limit [Å]	1.930	1.930
Rmerge	0.051 *	0.550 *
Number of reflections	16502
<I/σ(I)>	18	1.56
Completeness [%]	97.0 *	95.5
Redundancy	2.93

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)