31AL

Synchrotron structure of non-photoactivated PAmCherry1

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-18
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.873128
Spacegroup name	P 2 21 21
Unit cell lengths	39.360, 78.513, 145.405
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.090 - 1.500
R-factor	0.1808
Rwork	0.179
R-free	0.22170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.934
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1-4487: 000))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	72.710	78.510	1.530
High resolution limit [Å]	1.500	8.220	1.500
Rmerge	0.071
Number of reflections	73213	537	3567
<I/σ(I)>	13.1
Completeness [%]	99.9	98.2	100
Redundancy	7.9	6.4	8.1
CC(1/2)	0.999	0.998	0.865

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293.15	0.2 M sodium acetate, 20% (w/v) PEG 3350, and 15 mg/ml protein solution