3TP4

Crystal Structure of engineered protein at the resolution 1.98A, Northeast Structural Genomics Consortium Target OR128

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-17
Detector	MAR CCD 165 mm
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	88.666, 113.943, 116.815
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.256 - 1.979
R-factor	0.1803
Rwork	0.178
R-free	0.21760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bvy
RMSD bond length	0.007
RMSD bond angle	1.005
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	BALBES
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.070
High resolution limit [Å]	1.979	2.000
Rmerge	0.062	0.531
Number of reflections	154916
<I/σ(I)>	17.7	1.7
Completeness [%]	98.2	95.9
Redundancy	2.7	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5) . Reservoir solution: NaAcetate - 0.2M, NaCacodylate 0.1M, PEG8K - 30%, VAPOR DIFFUSION, SITTING DROP, temperature 277K