7M0Q

Crystal structure of deep network hallucinated protein 0738_mod

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-10
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97918
Spacegroup name	P 31
Unit cell lengths	46.291, 46.291, 82.492
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.090 - 2.400
R-factor	0.2211
Rwork	0.219
R-free	0.26010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	computational model
RMSD bond length	0.002
RMSD bond angle	0.430
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.080
Rpim	0.030
Number of reflections	7742	405
<I/σ(I)>	18	2.6
Completeness [%]	99.8	100
Redundancy	10.7	8.2
CC(1/2)	0.999	0.856

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	293.15	Protein concentration: 3.7 mg/mL Sample buffer:20 mM HEPES, 50 mM NaCl, pH 7.4 Crystallants: 40% v/v pentaerythritol propoxylate (5/4 PO/OH), 15% v/v ethanol