9NSC

Bacterial Pictet-Spenglerase KslB in complex with L-Trp

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-22
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.999
Spacegroup name	P 32
Unit cell lengths	94.532, 94.532, 193.101
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.270 - 3.100
R-factor	0.1899
Rwork	0.176
R-free	0.23420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.463
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.270	3.150
High resolution limit [Å]	3.100	3.100
Number of reflections	35035	1804
<I/σ(I)>	3.5
Completeness [%]	99.9
Redundancy	3.4
CC(1/2)	0.924	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	PEG 3350, Sodium Chloride, Bis-Tris