6MGJ

Crystal structure of the catalytic domain from GH74 enzyme PoGH74 from Paenibacillus odorifer, apoenzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.978
Spacegroup name	C 1 2 1
Unit cell lengths	239.094, 226.674, 187.224
Unit cell angles	90.00, 114.07, 90.00

Refinement procedure

Resolution	39.776 - 2.000
R-factor	0.149
Rwork	0.149
R-free	0.17650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cn3
RMSD bond length	0.004
RMSD bond angle	0.741
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((dev_3092: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.125	0.704
Rpim	0.056	0.315
Number of reflections	613090	30562
<I/σ(I)>	12.33
Completeness [%]	99.7	99.7
Redundancy	5.4	5.5
CC(1/2)		0.758

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	298	0.1 M Bis-Tris pH 6.9, 0.2 M sodium acetate, 25% PEG 8000, 0.1 M glucose, 10 mM xylose