6KMM

Crystal Structure of HEPES bound Dye Decolorizing peroxidase from Bacillus subtilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-28
Detector	DECTRIS EIGER R 4M
Wavelength(s)	0.96770
Spacegroup name	P 1
Unit cell lengths	79.837, 101.905, 105.405
Unit cell angles	88.00, 76.43, 83.28

Refinement procedure

Resolution	69.910 - 1.930
R-factor	0.1626
Rwork	0.161
R-free	0.20180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4grc
RMSD bond length	0.011
RMSD bond angle	1.789
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.910	1.960
High resolution limit [Å]	1.930	1.930
Number of reflections	223932	10799
<I/σ(I)>	9.6	2.2
Completeness [%]	92.8	89.4
Redundancy	6.5
CC(1/2)	0.990	0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	26% MPD, 0.05 M HEPES