4PQ8

Crystal Structure of Engineered Protein, Northeast Structural Genomics Consortium Target OR465

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	2014-02-26
Detector	MAR CCD 165 mm
Wavelength(s)	0.97908
Spacegroup name	P 43
Unit cell lengths	72.914, 72.914, 51.326
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.970 - 1.833
R-factor	0.155
Rwork	0.154
R-free	0.17600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rfj
RMSD bond length	0.006
RMSD bond angle	1.384
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	BALBES
Refinement software	PHENIX (1.7.2_869)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.900
High resolution limit [Å]	1.830	1.830
Rmerge	0.076	0.196
Number of reflections	23751
<I/σ(I)>	48.6	10
Completeness [%]	99.2	92
Redundancy	13.8	10.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microbatch crystallization under oil	6	291	Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5). Crystallization cocktail: 40% PEG 4000, 0.1M potassium phosphate monobasic, 0.1M MES, pH 6.0, Microbatch crystallization under oil, temperature 291K