7DBT

Crystal structure of catalytic domain of Anhydrobiosis-related Mn-dependent Peroxidase (AMNP) from Ramazzottius varieornatus (Mn2+-bound form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	95
Detector technology	PIXEL
Collection date	2020-07-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.2500
Spacegroup name	P 1 21 1
Unit cell lengths	48.400, 41.160, 79.768
Unit cell angles	90.00, 92.00, 90.00

Refinement procedure

Resolution	19.930 - 2.300
R-factor	0.2648
Rwork	0.262
R-free	0.32510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7dbu
RMSD bond length	0.008
RMSD bond angle	1.187
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.090	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.160	0.547
Number of reflections	14127	1337
<I/σ(I)>	4.6	1.7
Completeness [%]	98.6	48.4
Redundancy	4.4	4.2
CC(1/2)	0.987	0.866

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	Crystallization: 10% PEG3350, 100 mM imidazole-HCl buffer (pH 7.5), 300 mM zinc acetate, and 50 mM sodium fluoride Soaking: 11% PEG3350, 100 mM imidazole-HCl buffer (pH 7.5), 50 mM manganese chloride, and 50 mM sodium fluoride