9D2C

Crystal Structure of Tungbindin Treated with Proteinase K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-04
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	54.901, 76.696, 103.119
Unit cell angles	90.00, 102.32, 90.00

Refinement procedure

Resolution	43.950 - 2.380
R-factor	0.1862
Rwork	0.183
R-free	0.23390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.177
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.950	2.410
High resolution limit [Å]	2.380	2.380
Rmerge	0.130	0.330
Number of reflections	53472	403
<I/σ(I)>	12.55	2.42
Completeness [%]	88.5
Redundancy	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.1M HEPES pH 7.0 15% PEG 4000 0.1M MgCl2