6IR2

Crystal structure of red fluorescent protein mCherry complexed with the nanobody LaM2 at 1.4 Angstron resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97930
Spacegroup name	P 21 21 21
Unit cell lengths	49.817, 61.046, 109.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.396 - 1.393
R-factor	0.1961
Rwork	0.195
R-free	0.21580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2h5q 3k1k
RMSD bond length	0.006
RMSD bond angle	1.026
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.450
High resolution limit [Å]	1.393	3.020	1.400
Rmerge	0.139	0.074	1.504
Rmeas	0.145	0.078	1.599
Rpim	0.043	0.023	0.532
Number of reflections	65784	6678	6407
<I/σ(I)>	7.5
Completeness [%]	97.9	94.4	97
Redundancy	11.2	10.7	8.2
CC(1/2)		0.997	0.662

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	293	0.2M Magnesium chloride hexahydrate, 0.1M Tris pH 8.5, 25%(w/v) Polyethylene glycol 3,350.