9NSU

Bacterial Pictet-Spenglerase KslB in complex with product of L-Trp and succinic semialdehyde

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2024-12-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.999
Spacegroup name	P 32
Unit cell lengths	94.083, 94.083, 193.415
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.040 - 2.870
R-factor	0.2431
Rwork	0.224
R-free	0.26130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.551
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]	47.040	2.940
High resolution limit [Å]	2.870	2.870
Number of reflections	43504	1891
<I/σ(I)>	7.5
Completeness [%]	99.3
Redundancy	5.1
CC(1/2)	0.997	0.538

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	PEG 3350, Sodium chloride, bis-Tris