4MB3

Crystal structure of E153Q mutant of cold-adapted chitinase from Moritella marina

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	2012-04-21
Detector	RAYONIX MX-225
Wavelength(s)	0.91841
Spacegroup name	P 31 1 2
Unit cell lengths	67.657, 67.657, 255.643
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.440 - 1.550
R-factor	0.1433
Rwork	0.141
R-free	0.18350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hmc
RMSD bond length	0.020
RMSD bond angle	1.628
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]	31.440	1.640
High resolution limit [Å]	1.550	1.550
Rmerge	0.065	0.878
Number of reflections	97965
<I/σ(I)>	16.4	1.81
Completeness [%]	99.8	98.7
Redundancy	6.2	6.18

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), 0.02Mserine (racemic), 0.1M MES/imidazole pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K