9IZL

hVanin-1 complexed with X17

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	2024-07-20
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.9789
Spacegroup name	P 21 21 21
Unit cell lengths	58.823, 92.980, 218.923
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.870 - 2.280
R-factor	0.2167
Rwork	0.215
R-free	0.25970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond angle	11.304
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.320
High resolution limit [Å]	2.280	6.190	2.280
Rmerge	0.166	0.053	0.873
Rmeas	0.174	0.056	0.930
Rpim	0.051	0.018	0.307
Total number of observations	583939
Number of reflections	53547	3023	1820
<I/σ(I)>	3.7
Completeness [%]	95.6	98.7	67.1
Redundancy	10.9	10.5	6.5
CC(1/2)	0.998	0.998	0.874

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.2 M TMAO, 0.1 M Tris 8.5, 20% w/v PEG 2000 MME.