3PIB

Crystal structure of red fluorescent protein eqFP578 crystallized at pH 5.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	I 41
Unit cell lengths	161.247, 161.247, 75.682
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.915 - 1.154
R-factor	0.1549
Rwork	0.155
R-free	0.17650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.681
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.190
High resolution limit [Å]	1.150	2.480	1.150
Rmerge	0.055	0.033	0.488
Number of reflections	314590
<I/σ(I)>	9.2
Completeness [%]	91.6	99.6	59.9
Redundancy	5.6	6.2	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	25% w/v PEG 3350, 0.2 M ammonium acetate, 0.1 M BIS-TRIS pH 5.5., VAPOR DIFFUSION, HANGING DROP, temperature 293K