7D52

Crystal structure of yak lactoperoxidase with a disordered propionic group of heme moiety at 2.20 A resolution

Replaces:  6L4F

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	79.980, 85.080, 98.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.274 - 2.200
Rwork	0.190
R-free	0.24980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bxi
RMSD bond length	0.007
RMSD bond angle	1.522
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.000	2.270
High resolution limit [Å]	2.200	2.200
Number of reflections	35006	2333
<I/σ(I)>	10.2	3.1
Completeness [%]	100.0	99.9
Redundancy	12	11
CC(1/2)	0.993	0.967

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	298	0.2M potassium fluoride, 20% PEG 3350