7T5C

X-ray structure of Neurospora crassa Polysaccharide Monooxygenase 9D (NcLPMO9D) at low pH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-04
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	67.668, 42.210, 69.715
Unit cell angles	90.00, 98.91, 90.00

Refinement procedure

Resolution	12.610 - 1.500
R-factor	0.157
Rwork	0.156
R-free	0.18210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tkh
RMSD bond length	0.008
RMSD bond angle	1.097
Data reduction software	CrysalisPro
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	12.610	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.142	0.278
Rmeas	0.149	0.313
Number of reflections	62507	6159
<I/σ(I)>	62.56	7.14
Completeness [%]	99.8	99.97
Redundancy	8.2	4.5
CC(1/2)	0.992	0.940

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.4	295	PEG 3350, HEPES