9R1P

Crystal structure of STUB1 complexed with a compound molecule

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-01
Detector	DECTRIS PILATUS3 R 1M
Wavelength(s)	0.95373
Spacegroup name	P 31 2 1
Unit cell lengths	89.948, 89.948, 53.597
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.970 - 2.290
R-factor	0.2067
Rwork	0.205
R-free	0.23390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.882
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.970	2.410
High resolution limit [Å]	2.290	2.290
Rmerge	0.059	0.293
Rmeas	0.060	0.304
Rpim	0.013	0.066
Number of reflections	11510	1626
<I/σ(I)>	28.3	7.7
Completeness [%]	99.7
Redundancy	20.3
CC(1/2)	0.999	0.993

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		293	20% PEG4000,pH7.4