5VG0

Room temperature X-ray crystallographic structure of a Jonesia denitrificans lytic polysaccharide monooxygenase at 1.1 angstrom resolution.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	295
Detector technology	CMOS
Collection date	2015-05-27
Detector	RDI CMOS_8M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	32.040, 75.560, 120.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.000 - 1.100
R-factor	0.114
Rwork	0.114
R-free	0.12800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5aa7
RMSD bond length	0.008
RMSD bond angle	0.975
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.000	1.160
High resolution limit [Å]	1.100	1.100
Number of reflections	1248110
<I/σ(I)>	13.7
Completeness [%]	97.3	95
Redundancy	10.7	10.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Purified enzyme was incubated with a threefold molar excess of CuSO4 for 30 min at room temperature. To remove excess copper, the protein was loaded onto a desalting column equilibrated with 20 mM Tris-HCl pH 8.0. 30 ul protein solution at 48 mg/ml was mixed with 30 ul reservoir buffer consisting of 1.9 M DL-malic acid pH 7.0