8VPS

UIC-12-BPE extension of UIC-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	CCD
Collection date	2023-11-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.729317
Spacegroup name	C 1 2 1
Unit cell lengths	51.308, 9.960, 19.974
Unit cell angles	90.00, 94.02, 90.00

Refinement procedure

Resolution	19.920 - 1.000
R-factor	0.1302
Rwork	0.128
R-free	0.14620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.846
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.920	1.036
High resolution limit [Å]	1.000	1.000
Number of reflections	5614	525
<I/σ(I)>	15.6
Completeness [%]	98.1
Redundancy	6.5
CC(1/2)	0.999	0.893

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	DMF, water