5DPG

sfGFP mutant - 133 p-cyano-L-phenylalanine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.98
Spacegroup name	P 21 21 2
Unit cell lengths	60.774, 68.057, 53.268
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.331 - 1.850
R-factor	0.1509
Rwork	0.149
R-free	0.19200
RMSD bond length	0.013
RMSD bond angle	1.353
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.065	0.504
Number of reflections	19485
<I/σ(I)>	25.9	2.9
Completeness [%]	99.7	99.9
Redundancy	7.1	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	22% PEG 3350, 2% Tacsimate pH 6, 0.1 M Bis-Tris pH 6.5