1E15

Chitinase B from Serratia Marcescens

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X31
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-08-15
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	56.135, 106.586, 187.326
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.870 - 1.900
R-factor	0.183
Rwork	0.183
R-free	0.21200
Structure solution method	MIRAS
RMSD bond length	0.016
RMSD bond angle	24.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.087	0.344
Number of reflections	88458
<I/σ(I)>	11.5	3.3
Completeness [%]	100.0	100
Redundancy	5.3	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.6		0.25 M LI2SO4, 1.0 M(NH4)2SO4, CITRATE BUFFER PH 5.6

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	citrate	50 (mM)
3	1	reservoir		0.5 (M)
4	1	reservoir	ammonium sulfate	0.25 (M)