7DE5

Crystal structure of yak lactoperoxidase at 1.55 A resolution.

Replaces:  7CH2Replaces:  6L2VReplaces:  7BYZ

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	2019-09-09
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97
Spacegroup name	P 1 21 1
Unit cell lengths	53.910, 78.980, 67.820
Unit cell angles	90.00, 92.96, 90.00

Refinement procedure

Resolution	43.247 - 1.550
Rwork	0.186
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7BYZ
RMSD bond length	0.010
RMSD bond angle	1.622
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.530	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.107	0.934
Rpim	0.067	0.604
Number of reflections	81152	5535
<I/σ(I)>	7.6	1.1
Completeness [%]	98.4	92.8
Redundancy	3.3
CC(1/2)	0.990	0.440

Crystallization Conditions

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