5TKH

Neurospora crassa polysaccharide monooxygenase 2 ascorbate treated

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	67.170, 42.240, 69.370
Unit cell angles	90.00, 98.65, 90.00

Refinement procedure

Resolution	31.821 - 1.200
R-factor	0.128
Rwork	0.128
R-free	0.15380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4eir
RMSD bond length	0.008
RMSD bond angle	1.097
Data reduction software	MOSFLM (7.2.1)
Data scaling software	Aimless (0.5.26)
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX (1.10.1-2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.970	1.220
High resolution limit [Å]	1.200	1.200
Rmerge	0.189	0.244
Rmeas	0.221
Rpim	0.115
Total number of observations	436269
Number of reflections	115272
<I/σ(I)>	5.8
Completeness [%]	95.7	93.4
Redundancy	3.8	3.8
CC(1/2)	0.940	0.891

Crystallization Conditions

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