7C73

Crystal structure of yak lactoperoxidase using data obtained from crystals soaked in MgCl2 at 2.70 A resolution

Replaces:  6LNV

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	2019-12-09
Detector	MARRESEARCH
Wavelength(s)	0.97947
Spacegroup name	P 1 21 1
Unit cell lengths	53.880, 79.930, 75.050
Unit cell angles	90.00, 101.35, 90.00

Refinement procedure

Resolution	47.577 - 2.700
Rwork	0.218
R-free	0.30630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6LNV
RMSD bond length	0.008
RMSD bond angle	1.664
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.830
High resolution limit [Å]	2.700	2.700
Rmerge	0.198	0.960
Number of reflections	17274	1170
<I/σ(I)>	5
Completeness [%]	98.0	96.8
Redundancy	3.1	3
CC(1/2)	0.960	0.536

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	298	0.2M CaCl2, 20% PEG 3350, tris-HCl, pH 8