5VIK

Crystal structure of monomeric near-infrared fluorescent protein miRFP703

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	36.319, 52.821, 64.622
Unit cell angles	90.00, 92.53, 90.00

Refinement procedure

Resolution	29.930 - 1.350
R-factor	0.1232
Rwork	0.121
R-free	0.17400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xtq
RMSD bond length	0.022
RMSD bond angle	2.324
Data reduction software	HKL-2000
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]	29.930	50.000	1.400
High resolution limit [Å]	1.350	2.910	1.350
Rmerge	0.054	0.047	0.368
Rmeas	0.063	0.055	0.441
Rpim	0.033	0.028	0.241
Total number of observations	197471
Number of reflections	53575
<I/σ(I)>	13.6
Completeness [%]	99.9	99.5	99.9
Redundancy	3.7	3.7	3.3
CC(1/2)		0.994	0.868

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.08M Na Citrate pH 5.0, 24% v/v Jeffamine ED-2001 pH 7.0 0.4% n-octyl-beta-D-glucopyranoside