9NST

Bacterial Pictet-Spenglerase KslB in complex with product of L-Trp and a-ketoglutaric acid

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	95.569, 95.569, 193.651
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.780 - 3.300
R-factor	0.2009
Rwork	0.194
R-free	0.21330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.528
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]	47.780	3.390
High resolution limit [Å]	3.300	3.300
Number of reflections	29279	1400
<I/σ(I)>	6.1
Completeness [%]	98.9
Redundancy	2.9
CC(1/2)	0.942	0.346

Crystallization Conditions

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