6FKS

Crystal structure of a dye-decolorizing peroxidase from Klebsiella pneumoniae (KpDyP)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-11
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97949
Spacegroup name	P 1 21 1
Unit cell lengths	50.520, 75.850, 75.640
Unit cell angles	90.00, 107.86, 90.00

Refinement procedure

Resolution	52.218 - 1.600
R-factor	0.130008679742
Rwork	0.128
R-free	0.16699
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5de0
RMSD bond length	0.007
RMSD bond angle	0.967
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.220	1.675
High resolution limit [Å]	1.600	1.600
Rmerge	0.041	0.446
Rmeas	0.050	0.555
Rpim	0.028	0.325
Number of reflections	69426	6619
<I/σ(I)>	16.64	2.21
Completeness [%]	96.9	93.09
Redundancy	3.1	2.6
CC(1/2)	0.999	0.802

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298.15	23% w/v PEG 3350, 0.1 M MgCl2, 0.1 M Tris-HCl, pH 8.5