1GOI

Crystal structure of the D140N mutant of chitinase B from Serratia marcescens at 1.45 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2000-11-15
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	55.904, 104.016, 186.524
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.000 - 1.450
R-factor	0.164 *
R-free	0.22700 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e15
RMSD bond length	0.017 *
RMSD bond angle	2.320 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.000	1.500
High resolution limit [Å]	1.450	1.450
Rmerge	0.037	0.380
Total number of observations	600078 *
Number of reflections	191634
<I/σ(I)>	14.7	2.7
Completeness [%]	99.3	99.5
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7		100 MM HEPES, 1.25 M AMMONIUM SULPHATE, 10% GLYCEROL, pH 7.00

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	glycerol	10 (%)
3	1	reservoir	ammonium sulfate	1.25 (M)
4	1	reservoir	HEPES	100 (mM)	pH7.