5VJ0

Crystal Structure of heme-containing DyP Type Peroxidase from Enterobacter lignolyticus

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	2016-06-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	75.870, 74.160, 118.640
Unit cell angles	90.00, 108.17, 90.00

Refinement procedure

Resolution	43.449 - 1.930
R-factor	0.1733
Rwork	0.173
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5de0
RMSD bond length	0.006
RMSD bond angle	0.847
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.449	43.449	1.980
High resolution limit [Å]	1.930	8.630	1.930
Rmerge	0.071	0.032	0.608
Rmeas	0.077	0.035	0.651
Total number of observations	716348
Number of reflections	92368	1115	6739
<I/σ(I)>	19.45	53.1	3.83
Completeness [%]	98.0	98.3	96.9
Redundancy	7.755	7.114	7.838
CC(1/2)	0.999	0.998	0.918

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	293	0.1M HEPES, pH 7.3, 25% (v/v) PEG-3350