3IP2

Crystal structure of red fluorescent protein Neptune at pH 7.0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.11586
Spacegroup name	P 42 21 2
Unit cell lengths	92.144, 92.144, 53.216
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.200 - 1.600
R-factor	0.1728
Rwork	0.171
R-free	0.20190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bxa
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 2009_02_15_2320_3))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	92.100	1.680
High resolution limit [Å]	1.600	1.600
Number of reflections	30755
<I/σ(I)>	23.8	2.2
Completeness [%]	99.9	99.7
Redundancy	8.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	1 uL of protein at 10 mg/mL was mixed with 1 uL of 0.1 M HEPES, 0.2 M CaCl2, 20% PEG 6000, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K