6MGH

X-ray structure of monomeric near-infrared fluorescent protein miRFP670nano

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	CCD
Collection date	2018-01-01
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	187.598, 72.124, 136.698
Unit cell angles	90.00, 129.99, 90.00

Refinement procedure

Resolution	30.000 - 1.950
R-factor	0.1831
Rwork	0.182
R-free	0.23920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	2.415
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.020
High resolution limit [Å]	1.950	4.200	1.950
Rmerge	0.097	0.045	0.557
Rmeas	0.113	0.053	0.661
Rpim	0.058	0.027	0.353
Total number of observations	376413
Number of reflections	100484	10354	9875
<I/σ(I)>	7.8
Completeness [%]	98.5	99.3	97.6
Redundancy	3.7	3.7	3.3
CC(1/2)		0.996	0.762

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	293	0.1M Na Acetate pH 4.0, 10mM EDTA, 10% isopropanol, 22% PEG 6000