6MVJ

Cellobiose complex Cel45A from Neurospora crassa OR74A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-13
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.459
Spacegroup name	P 21 21 21
Unit cell lengths	31.185, 72.755, 86.348
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.331 - 1.809
R-factor	0.148
Rwork	0.146
R-free	0.18010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5glx
RMSD bond length	0.006
RMSD bond angle	0.874
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.170	1.850
High resolution limit [Å]	1.809	1.810
Rmeas	0.047	0.130
Number of reflections	18310
<I/σ(I)>	40.1	14.6
Completeness [%]	98.2	91
Redundancy	11.4
CC(1/2)	0.999	0.992

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291	100 mM HEPES pH 8.0, 20% PEG6000 (w/w) and 10 mM ZnCl2