7T5E

Neutron structure of Neurospora crassa Polysaccharide Monooxygenase 9D (NcLPMO9D) low pH vapor exchange

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	295
Detector technology	PIXEL
Collection date	2018-10-25
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	68.296, 42.269, 70.413
Unit cell angles	90.00, 98.47, 90.00

Refinement procedure

Resolution	14.649 - 2.144
R-factor	0.148
Rwork	0.144
R-free	0.21370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tkh
RMSD bond length	0.010
RMSD bond angle	1.322
Data reduction software	CrysalisPro
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	12.650	2.220	1.900
High resolution limit [Å]	1.900	2.140	1.900
Rmerge	0.115	0.328	0.299
Rmeas	0.126	0.382	0.344
Number of reflections	30950	1655	2859
<I/σ(I)>	15.24	3.02	4.4
Completeness [%]	97.6	74.75	91.75
Redundancy	6.1	3.3	4.1
CC(1/2)	0.991	0.363	0.880

Crystallization Conditions

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