9JUT

X-ray crystal structure of Y16524 in EP300

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]	80
Detector technology	PIXEL
Collection date	2023-06-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97918
Spacegroup name	I 2 2 2
Unit cell lengths	48.369, 55.983, 114.135
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.920 - 2.130
R-factor	0.18532
Rwork	0.182
R-free	0.23414
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ugi
RMSD bond length	0.010
RMSD bond angle	1.674
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.470	1.300
High resolution limit [Å]	1.280	1.280
Rmerge	0.059	0.412
Rmeas	0.062	0.467
Rpim	0.019	0.214
Total number of observations	379045	8067
Number of reflections	38973	1794
<I/σ(I)>	19.9	3.2
Completeness [%]	99.7
Redundancy	9.7	4.5
CC(1/2)	0.999	0.878

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	60% v/v Tacsimate pH 7.0, 0.1 M BIS-TRIS propane pH 7.0