9K0B

Structure of Pictet-Spenglerases KslB in complex with L-Trp

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-13
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.1
Spacegroup name	P 21 21 21
Unit cell lengths	81.768, 82.102, 91.704
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.980 - 2.100
R-factor	0.2089
Rwork	0.207
R-free	0.24960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.518
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.980	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.256	0.905
Number of reflections	36772	3002
<I/σ(I)>	5.9	2.4
Completeness [%]	100.0	100
Redundancy	9.3	9.7
CC(1/2)	0.984	0.797

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM calcium acetate, 100 mM cacodylate pH 6.0, and 12% PEG8000