6KL1

Crystal structure of the S65T/F99S/M153T/V163A variant of non-deuterated GFP at pD 8.5

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	50.915, 62.107, 68.865
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.457 - 0.851
R-factor	0.1041
Rwork	0.103
R-free	0.11790
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	0.860
High resolution limit [Å]	0.850	0.850
Rmerge	0.082	1.258
Number of reflections	189497	9243
<I/σ(I)>	21.6	1.3
Completeness [%]	99.3	98
Redundancy	8.5	6.2
CC(1/2)		0.526

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.1	308	PEG 4000, MgCl2, Tris-DCl buffer