1EDQ

CRYSTAL STRUCTURE OF CHITINASE A FROM S. MARCESCENS AT 1.55 ANGSTROMS

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	IMAGE PLATE
Collection date	1999-04-04
Detector	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	199.497, 131.825, 59.368
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.550
R-factor	0.187 *
Rwork	0.187
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ctn
RMSD bond length	0.010
RMSD bond angle	11.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	1.610
High resolution limit [Å]	1.550	1.550
Rmerge	0.032	0.216
Number of reflections	112857
<I/σ(I)>	27.8	6.8
Completeness [%]	99.8	100
Redundancy	5	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	291 *	0.75 M Citrate-Na pH 7.2, 20% (v/v) methanol, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop		0.5 (mM)
2	1	drop	ammonium sulfate	200 (mM)
3	1	drop	enzyme	30 (mg/ml)
4	1	drop	Tris-HCl	2 (mM)
5	1	reservoir	sodium citrate	0.75 (M)
6	1	reservoir	methanol	20 (%(v/v))