9GNC

KvPepIY122A 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	56.310, 94.593, 110.756
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.390 - 1.650
R-factor	0.1587
Rwork	0.157
R-free	0.18840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.324
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]	48.390	1.680
High resolution limit [Å]	1.650	1.650
Number of reflections	71529	3484
<I/σ(I)>	21.2
Completeness [%]	99.5
Redundancy	34.3
CC(1/2)	0.990	0.847

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