5UFV

Crystal Structure of a Cellulose-active Polysaccharide Monooxygenase from M. thermophila (MtPMO3*)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-12-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	70.937, 134.302, 79.402
Unit cell angles	90.00, 92.92, 90.00

Refinement procedure

Resolution	48.740 - 2.450
R-factor	0.1643
Rwork	0.162
R-free	0.20780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vtc
RMSD bond length	0.011
RMSD bond angle	1.379
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.5.2)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.450	5.280	2.450
Rmerge	0.139	0.086	0.500
Number of reflections	53718
<I/σ(I)>	5.3
Completeness [%]	98.5	98.4	97.1
Redundancy	4.6	4.6	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.9	277	18% PEG 6K, 0.1 M sodium citrate