4MPI

Crystal structure of the chitin-binding module (CBM18) of a chitinase-like protein from Hevea brasiliensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-06-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9791
Spacegroup name	P 61
Unit cell lengths	38.515, 38.515, 100.934
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.355 - 1.602
R-factor	0.1803
Rwork	0.179
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q9b
RMSD bond length	0.006
RMSD bond angle	1.108
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.3_1479))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.355	33.640	1.680
High resolution limit [Å]	1.602	5.050	1.602
Rmerge	0.037	0.022	0.216
Number of reflections	11117
<I/σ(I)>	21.13	48.2	4.9
Completeness [%]	99.5	99.9	99.5
Redundancy	3.5	3.3	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	11 mg/mL protein, 0.1 M MES, pH 7.0, 1.6 M ammonium sulfate, 4% 1,4-dioxane, VAPOR DIFFUSION, SITTING DROP, temperature 291K