9LSC

Crystal structure of mRFP1 with a grafted calcium-binding sequence and two bound calcium ions in a calcium-free solution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	42.690, 79.070, 65.680
Unit cell angles	90.00, 91.07, 90.00

Refinement procedure

Resolution	37.560 - 1.380
R-factor	0.1931
Rwork	0.193
R-free	0.20810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.967
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.680	1.460
High resolution limit [Å]	1.380	1.380
Number of reflections	88343	13345
<I/σ(I)>	15.87
Completeness [%]	98.7
Redundancy	4.08
CC(1/2)	0.998	0.953

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1M Tris-HCl pH 8.5, 0.2M Magnesium chloride hexahydrate, 20% (w/v) Polyethylene glycol 8000