4I3C

Crystal structure of fluorescent protein UnaG N57Q mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-11
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 32
Unit cell lengths	70.609, 70.609, 42.272
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.304 - 2.001
R-factor	0.1537
Rwork	0.147
R-free	0.17760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4i3b
RMSD bond length	0.005
RMSD bond angle	1.113
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.8.1_1168)
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.139	0.387
Number of reflections	15849
<I/σ(I)>	9.2	1.8
Completeness [%]	97.8	97.1
Redundancy	3.4	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.1M Tris, 30%w/v Polyethylene glycol monomethyl ether 2000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K