9JLH

STRUCTURE OF MUTANT3 OF UNSPECIFIC PEROXYGENASE FROM AGROCYBE AEGERITA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 1 21 1
Unit cell lengths	51.301, 57.952, 60.910
Unit cell angles	90.00, 109.81, 90.00

Refinement procedure

Resolution	48.260 - 1.610
R-factor	0.1598
Rwork	0.159
R-free	0.18300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.068
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21_5207: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.300	1.690
High resolution limit [Å]	1.610	1.610
Number of reflections	43650	6099
<I/σ(I)>	11.3	2.5
Completeness [%]	99.3
Redundancy	10.5	8.7
CC(1/2)	0.977	0.691

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	PEG, NaCl,