5TKF

Neurospora crassa polysaccharide monooxygenase 2 high mannosylation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-05
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 1
Unit cell lengths	43.300, 67.040, 84.150
Unit cell angles	97.57, 97.61, 97.43

Refinement procedure

Resolution	40.308 - 2.100
R-factor	0.1435
Rwork	0.142
R-free	0.17730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4eir
RMSD bond length	0.003
RMSD bond angle	0.703
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]	47.970	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.088	0.303
Rmeas	0.124
Rpim	0.088
Total number of observations	102821
Number of reflections	52135
<I/σ(I)>	8.8
Completeness [%]	97.1	96.1
Redundancy	2	2
CC(1/2)	0.957	0.726

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.2	295	PEG 3350, HEPES