6JGJ

Crystal structure of the F99S/M153T/V163A/E222Q variant of GFP at 0.78 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	56
Detector technology	PIXEL
Collection date	2016-06-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.35
Spacegroup name	P 21 21 21
Unit cell lengths	50.870, 62.340, 68.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.140 - 0.780
Rwork	0.108
R-free	0.12500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wur
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	SHELXL

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	31.140	31.140	0.800
High resolution limit [Å]	0.770	3.440	0.780
Rmerge	0.073	0.039	2.098
Rmeas	0.076	0.040	2.229
Number of reflections	254665	3127	22721
<I/σ(I)>	15.68	71.78	1.12
Completeness [%]	98.9	99.7	98
Redundancy	11.873	13.071	8.63
CC(1/2)	0.999	0.998	0.507

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	308	PEG 4000, MgCl2, Tris-HCl buffer