5TWT

Characterization of class III peroxidase from switchgrass (Panicum virgatum)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	110
Detector technology	CCD
Collection date	2015-06-01
Detector	AGILENT EOS CCD
Wavelength(s)	0.99996
Spacegroup name	P 21 21 21
Unit cell lengths	53.854, 59.432, 96.874
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.547 - 1.296
R-factor	0.1349
Rwork	0.135
R-free	0.14530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sch
RMSD bond length	0.007
RMSD bond angle	0.916
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.296
Rmerge		0.617
Number of reflections	75730
<I/σ(I)>	14.725	2.14
Completeness [%]	97.6
Redundancy	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	2M (NH4)2SO4