6KL0

Crystal structure of the S65T/F99S/M153T/V163A variant of perdeuterated GFP at pD 7.0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	50
Detector technology	CCD
Collection date	2017-07-21
Detector	RAYONIX MX300HE
Wavelength(s)	0.75
Spacegroup name	P 21 21 21
Unit cell lengths	50.826, 62.402, 68.875
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.590 - 0.798
R-factor	0.1067
Rwork	0.106
R-free	0.11980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wur
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	0.810
High resolution limit [Å]	0.798	0.798
Rmerge	0.092	1.459
Number of reflections	229145	11357
<I/σ(I)>	29.6	1.2
Completeness [%]	100.0	99.8
Redundancy	6.7	6
CC(1/2)		0.475

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.6	308	PEG 4000, MgCl2, Tris-DCl buffer