9KOE

X-ray crystallography of ascorbate peroxidase APEX2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-17
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.9791
Spacegroup name	H 3
Unit cell lengths	119.403, 119.403, 85.111
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.190 - 1.760
R-factor	0.2021
Rwork	0.201
R-free	0.22850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond angle	9.815
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.190	1.790
High resolution limit [Å]	1.760	1.760
Rmerge	0.079	0.079
Number of reflections	44570	44570
<I/σ(I)>	31.35
Completeness [%]	99.3
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	20% PEG 2000 MME, 100mM Tris-HCl, pH 8.5, 10mM Nickel(II) Chloride