5VIQ

Crystal structure of monomeric near-infrared fluorescent protein miRFP709

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
Collection date	2016-12-01
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	36.266, 52.860, 64.625
Unit cell angles	90.00, 92.70, 90.00

Refinement procedure

Resolution	27.540 - 1.340
R-factor	0.1373
Rwork	0.136
R-free	0.18770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xtq
RMSD bond length	0.023
RMSD bond angle	2.348
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.540	30.000	1.390
High resolution limit [Å]	1.340	2.890	1.340
Rmerge	0.055	0.044	0.517
Rmeas	0.065	0.051	0.620
Rpim	0.033	0.027	0.336
Total number of observations	199515
Number of reflections	55190
<I/σ(I)>	15.4
Completeness [%]	99.6	98.9	97.6
Redundancy	3.6	3.7	3.2
CC(1/2)		0.996	0.829

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.16 M MgCl2, 0.08 M Tris-HCl pH 8.5, 20% w/v PEG 3350, 3.2% 2,2,2-trifluoroethanol