4Q22

Crystal structure of Chitinase D from Serratia proteamaculans in complex with N-acetyl glucosamine at 1.93 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	77
Detector technology	CCD
Collection date	2013-11-28
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97947
Spacegroup name	P 2 21 21
Unit cell lengths	59.211, 74.918, 87.049
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.210 - 1.930
R-factor	0.16392
Rwork	0.162
R-free	0.19615
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lgx
RMSD bond length	0.019
RMSD bond angle	1.909
Data reduction software	AUTOMAR
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.220	2.000
High resolution limit [Å]	1.930	1.930
Rmerge	0.134
Number of reflections	29280
<I/σ(I)>	8.6	2.6
Completeness [%]	100.0	95.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	298	2M SODIUM FORMATE, 0.1M SODIUM ACETATE, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K