1E6P

Chitinase B from Serratia marcescens inactive mutant E144Q

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2000-03-27
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	56.134, 104.138, 186.654
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.810 - 1.700
R-factor	0.182
Rwork	0.182
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e15
RMSD bond length	0.011
RMSD bond angle	23.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.063	0.400
Total number of observations	465926 *
Number of reflections	118061	10746 *
<I/σ(I)>	13.6	2.3
Completeness [%]	97.7	90.2
Redundancy	3.9	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.6 *		Van Aalten, D.M.F., (2000) Proc. Natl. Acad. Sci. U.S.A., 97, 5842. *

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)