5TKG

Neurospora crassa polysaccharide monooxygenase 2 resting state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-03
Detector	RAYONIX MX300-HS
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	67.350, 42.210, 69.480
Unit cell angles	90.00, 98.96, 90.00

Refinement procedure

Resolution	31.950 - 1.200
R-factor	0.1138
Rwork	0.113
R-free	0.14000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4eir
RMSD bond length	0.009
RMSD bond angle	1.184
Data reduction software	MOSFLM (7.2.1)
Data scaling software	Aimless (0.5.27)
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX (1.10.1-2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.640	1.220
High resolution limit [Å]	1.200	1.200
Rmerge	0.117	0.251
Rmeas	0.140
Rpim	0.076
Total number of observations	400665
Number of reflections	117131
<I/σ(I)>	7.1
Completeness [%]	97.0	95
Redundancy	3.4	3.4
CC(1/2)	0.978	0.914

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	295	PEG 3350, HEPES