7LSC

Crystal structure of near-infrared fluorescent protein miRFP670nano3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	111.531, 73.953, 83.743
Unit cell angles	90.00, 101.71, 90.00

Refinement procedure

Resolution	29.830 - 1.800
R-factor	0.1789
Rwork	0.178
R-free	0.23710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mgh
RMSD bond length	0.010
RMSD bond angle	2.283
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.860
High resolution limit [Å]	1.800	3.880	1.800
Rmerge	0.074	0.052	0.815
Rmeas	0.083	0.059	0.935
Rpim	0.037	0.027	0.446
Total number of observations	274220
Number of reflections	60575	6164	5734
<I/σ(I)>	9.8
Completeness [%]	98.5	98.1	93.6
Redundancy	4.5	4.5	3.9
CC(1/2)		0.994	0.682

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.3	293	8.4% PEG4000, 3.6% MPD, 0.06 M sodium/potassium phosphate, pH 6.3