7LSD

Crystal structure of near-infrared fluorescent protein miRFP718nano

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	2020-02-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	122.204, 103.198, 75.548
Unit cell angles	90.00, 125.75, 90.00

Refinement procedure

Resolution	29.840 - 1.700
R-factor	0.1582
Rwork	0.157
R-free	0.19580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mgh
RMSD bond length	0.013
RMSD bond angle	2.394
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	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.047	0.032	0.628
Rmeas	0.055	0.037	0.744
Rpim	0.029	0.020	0.395
Total number of observations	285750
Number of reflections	80892	8199	8019
<I/σ(I)>	10.3
Completeness [%]	96.6	96.6	96.4
Redundancy	3.5	3.5	3.4
CC(1/2)		0.998	0.769

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.5	293	12.6% PEG6000, 0.1 M lithium sulfate, 0.07 M citric acid, pH 3.5, 2.1% D-sorbitol