3U8A

Crystal structure of monomeric reversibly photoswitchable red fluorescent protein rsTagRFP in the OFF state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 1
Unit cell lengths	49.750, 69.645, 73.947
Unit cell angles	78.61, 83.77, 72.16

Refinement procedure

Resolution	26.653 - 1.783
R-factor	0.1827
Rwork	0.182
R-free	0.23530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.735
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.860
High resolution limit [Å]	1.783	3.880	1.783
Rmerge	0.056	0.044	0.436
Number of reflections	82797
<I/σ(I)>	15.2
Completeness [%]	95.4	94.8	85.7
Redundancy	2.4	2.4	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	0.2M Ammonium Citrate, 20% PEG 3350, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K