5L86

engineered ascorbate peroxidise

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-13
Detector	DECTRIS PILATUS 300K
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	84.460, 81.950, 69.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.810 - 1.900
R-factor	0.1819
Rwork	0.179
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1v0h
RMSD bond length	0.017
RMSD bond angle	1.818
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.000		1.950
High resolution limit [Å]	1.900	6.000	1.900
Rmerge	0.353	0.084	3.688
Number of reflections	73768
<I/σ(I)>	4.73	18.26	0.56
Completeness [%]	100.0	99.7	100
Redundancy	7.1
CC(1/2)	0.986

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM bis-tris, pH 5.5, 2.0 M ammonium sulfate