5FHV

Crystal structure of mCherry after reaction with 2-mercaptoethanol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-23
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	48.783, 43.244, 61.234
Unit cell angles	90.00, 111.52, 90.00

Refinement procedure

Resolution	45.381 - 1.550
R-factor	0.1583
Rwork	0.157
R-free	0.18760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2h5q
RMSD bond length	0.006
RMSD bond angle	1.325
Data reduction software	XDS (January 22, 2015)
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.381	45.380	1.580
High resolution limit [Å]	1.550	8.490	1.550
Rmerge	0.062	0.018	0.562
Number of reflections	34495
<I/σ(I)>	14	46.4	2.1
Completeness [%]	99.4	98.5	99
Redundancy	3.3	3.3	3
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	289	0.2 M MgCl2.6H2O, 0.1 M Tris pH 8.5, 25 % PEG 4000