4HME

Crystal structure of cold-adapted chitinase from Moritella marina with a reaction product - NAG2

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	2011-03-19
Detector	RAYONIX MX-225
Wavelength(s)	0.91841
Spacegroup name	P 31 1 2
Unit cell lengths	65.998, 65.998, 257.537
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.320 - 2.070
R-factor	0.1752
Rwork	0.174
R-free	0.21250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hmc
RMSD bond length	0.020
RMSD bond angle	1.850
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.070	4.460	2.070
Rmerge	0.114	0.044	0.940
Number of reflections	39600
<I/σ(I)>	7.5
Completeness [%]	99.5	99.7	99.1
Redundancy	9.1	9	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	277	23% PEG 4000 w/v, 0.16M ammonium sulphate, 0.1M citrate buffer, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K