9UWR

Pictet-Spenglerase AsKslB 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	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-12-28
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.987
Spacegroup name	P 41 21 2
Unit cell lengths	59.220, 59.220, 332.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.550 - 2.110
R-factor	0.2115
Rwork	0.209
R-free	0.25207
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.575
Data reduction software	xia2
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.200	2.160
High resolution limit [Å]	2.110	2.110
Number of reflections	34941	2187
<I/σ(I)>	16.3
Completeness [%]	98.4
Redundancy	18.5	6.7
CC(1/2)	0.998	0.763

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	296.15	PEG4000