3RJA

Crystal structure of carbohydrate oxidase from Microdochium nivale in complex with substrate analogue

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OXFORD DIFFRACTION ENHANCE ULTRA
Temperature [K]	120
Detector technology	CCD
Collection date	2008-06-05
Detector	Oxford Diffraction Atlas CCD
Spacegroup name	C 1 2 1
Unit cell lengths	132.040, 56.920, 86.900
Unit cell angles	90.00, 95.55, 90.00

Refinement procedure

Resolution	15.000 - 2.100
R-factor	0.145
Rwork	0.142
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zr6
RMSD bond length	0.015
RMSD bond angle	1.437
Data reduction software	CrysalisPro
Data scaling software	Jana2006
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0060)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.047	0.171
Number of reflections	33917
<I/σ(I)>	15.5	3.6
Completeness [%]	90.1	63.1
Redundancy	2.2	1.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.01 M zinc sulfate, 0.1 M MES, 12% PEG550 MME , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K