8TNO

UNC_239 from Chroma generative model

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97624
Spacegroup name	P 21 21 21
Unit cell lengths	41.803, 80.586, 164.314
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.300 - 2.360
R-factor	0.287
Rwork	0.281
R-free	0.33640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.838
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.300	2.420
High resolution limit [Å]	2.360	2.360
Rmerge	0.067	0.931
Number of reflections	23239	1716
<I/σ(I)>	12.2
Completeness [%]	98.2
Redundancy	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.2M ammonium acetate, 0.1 M Tris pH 8.5, 25% w/v polyethylene glycol