6LQW

Crystal structure of a dimeric yak lactoperoxidase at 2.59 A resolution.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	100
Detector technology	CCD
Collection date	2019-12-04
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97
Spacegroup name	P 1 21 1
Unit cell lengths	81.295, 96.732, 83.931
Unit cell angles	90.00, 90.30, 90.00

Refinement procedure

Resolution	40.640 - 2.600
R-factor	0.2137
Rwork	0.212
R-free	0.29230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6L3Z
RMSD bond length	0.009
RMSD bond angle	1.109
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.640	2.670
High resolution limit [Å]	2.590	2.590
Rmerge	0.120	0.447
Rmeas	0.140	0.521
Rpim	0.072	0.266
Number of reflections	40278	3537
<I/σ(I)>	6.5	2.3
Completeness [%]	98.7	88
Redundancy	3.8
CC(1/2)	0.980	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	0.2M Ammonium formate, 20% PEG 3350