9LSW

Crystal structure of the calcium-free mRFP1 with a grafted calcium-binding sequence

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	87.735, 132.276, 227.963
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.890 - 3.160
R-factor	0.1884
Rwork	0.185
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.227
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]	49.890	3.350
High resolution limit [Å]	3.160	3.160
Number of reflections	87830	14103
<I/σ(I)>	5.75	1.2
Completeness [%]	99.6
Redundancy	3.59
CC(1/2)	0.979	0.495

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	0.1M sodium citrate tribasic dihydrate pH 5.6, 0.2M ammonium acetate, 30% (w/v) PEG 4000