6IR1

Crystal structure of red fluorescent protein mCherry complexed with the nanobody LaM4 at 1.9 Angstron resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97917
Spacegroup name	C 1 2 1
Unit cell lengths	156.489, 41.665, 53.182
Unit cell angles	90.00, 90.63, 90.00

Refinement procedure

Resolution	32.554 - 1.919
R-factor	0.1825
Rwork	0.180
R-free	0.23190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2h5q 3k1k
RMSD bond length	0.013
RMSD bond angle	1.256
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.260	40.260	2.020
High resolution limit [Å]	1.919	6.070	1.920
Rmerge	0.166	0.140	0.769
Rmeas	0.180	0.152	0.843
Rpim	0.070	0.059	0.341
Number of reflections	24985	888	3774
<I/σ(I)>	8
Completeness [%]	94.1	99.1	98.2
Redundancy	6.4	6.5	6.1
CC(1/2)	0.988	0.976	0.819

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.2M Lithium sulfate monohydrate, 0.1M BIS-TRIS pH 5.5, 25%(w/v) Polyethylene glycol 3,350.