1OUS

Lecb (PA-LII) calcium-free

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	CCD
Collection date	2002-08-12
Detector	MARRESEARCH
Wavelength(s)	0.811
Spacegroup name	P 21 21 21
Unit cell lengths	46.810, 73.800, 100.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.000 - 1.200
R-factor	0.199
Rwork	0.198
R-free	0.20900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.476
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.000	1.240
High resolution limit [Å]	1.200	1.200
Rmerge	0.076	0.185
Total number of observations	356581 *
Number of reflections	104887 *
<I/σ(I)>	9.35
Completeness [%]	95.7	88.3
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microdialysis *	8	293	PEG8000, ammonium sulphate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	EDTA	50 (mM)
2	1	reservoir	PEG8000	30-35 (%)