9GND

KvPepIH62A mutant in complex with F420,F420-dependent oxidoreductase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-11
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.03
Spacegroup name	P 21 21 21
Unit cell lengths	56.520, 94.271, 110.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.480 - 1.800
R-factor	0.168
Rwork	0.166
R-free	0.20420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	0.998
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.19.1_4122: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.480	1.840
High resolution limit [Å]	1.800	1.800
Number of reflections	55564	3272
<I/σ(I)>	12.3
Completeness [%]	99.9
Redundancy	26.3
CC(1/2)	0.998	0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	30% (w/v) PEG 4000, 0.2 M Sodium acetate and 0.1 M Tris-Cl pH 8.5