7E5Q

Crystal Structure of Dye Decolorizing peroxidase from Bacillus subtilis at acidic pH

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	2020-11-18
Detector	DECTRIS EIGER R 4M
Wavelength(s)	0.96770
Spacegroup name	P 21 21 21
Unit cell lengths	40.855, 117.342, 135.441
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.344 - 1.900
R-factor	0.1823
Rwork	0.180
R-free	0.23270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kmm
RMSD bond length	0.006
RMSD bond angle	0.847
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.344	1.960
High resolution limit [Å]	1.900	1.900
Number of reflections	52281	7225
<I/σ(I)>	8.8
Completeness [%]	99.4	5.8
Redundancy	6.8
CC(1/2)	0.980	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293	0.1M Sodium citrate, 1M LiCl, 20% PEG 6000