4LT9

Crystal Structure of Engineered Protein, Northeast Structural Genomics Consortium Target OR404

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-05
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	39.287, 73.333, 80.738
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.667 - 2.150
R-factor	0.219
Rwork	0.218
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID 4A2R
RMSD bond length	0.008
RMSD bond angle	1.530
Data reduction software	XDS
Data scaling software	RAPD
Phasing software	BALBES
Refinement software	PHENIX (1.7.2_869)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.270
High resolution limit [Å]	2.150	2.150
Rmerge	0.118	0.012
Number of reflections	24498
<I/σ(I)>	16.8	2.4
Completeness [%]	99.7	99.8
Redundancy	10.5	10.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microbatch crystallization under oil	8	277	24% PEG 20000, 0.1M potassium chloride, 0.1M TrisHCl, pH 8.0, Microbatch crystallization under oil, temperature 277K