4MB5

Crystal structure of E153Q mutant of cold-adapted chitinase from Moritella complex with Nag5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-12
Detector	RAYONIX MX-225
Wavelength(s)	0.91841
Spacegroup name	P 31 1 2
Unit cell lengths	67.057, 67.057, 256.633
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.439 - 1.639
R-factor	0.1467
Rwork	0.146
R-free	0.17700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hmc
RMSD bond length	0.019
RMSD bond angle	1.769
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.440	1.740
High resolution limit [Å]	1.639	1.639
Rmerge	0.072	0.905
Number of reflections	81642
<I/σ(I)>	17.72	1.89
Completeness [%]	99.9	99.3
Redundancy	6.5	6.52

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	292	12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD, 0.02M Na-L-glutamate, 0.02M alanine (racemic), 0.02M glycine, 0.02M lysine HCl (racemic), 0.02M serine (racemic), 0.1M MES/imidazole pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K