9UM2

Pterocarpan Reductase GuPTR1 from Glycyrrhiza uralensis

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	2025-01-21
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.9792
Spacegroup name	C 2 2 21
Unit cell lengths	82.560, 108.790, 77.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.655 - 2.100
R-factor	0.1853
Rwork	0.182
R-free	0.21880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.028
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.16_3549: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.770	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.059	0.143
Rmeas	0.083	0.203
Rpim	0.059	0.143
Number of reflections	20558	1652
<I/σ(I)>	13.5
Completeness [%]	99.4	99.8
Redundancy	1.9	1.9
CC(1/2)	0.983	0.896

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.05 M Sodium sulfate, 0.05 M Lithium chloride, 0.05 M Tris, pH 8.5, 32% v/v PEG 400