4LNY

Crystal Structure of Engineered Protein, Northeast Structural Genomics Consortium Target OR422

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	2013-07-06
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	41.125, 63.161, 86.436
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.136 - 1.929
R-factor	0.192
Rwork	0.191
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tc7
RMSD bond length	0.006
RMSD bond angle	1.275
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]	43.220	2.030
High resolution limit [Å]	1.930	1.930
Rmerge	0.176	0.014
Number of reflections	32707
<I/σ(I)>	13.5	2.3
Completeness [%]	99.8	99.7
Redundancy	14	14.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microbatch crystallization under oil	4.6	291	30% PEG 400, 0.1M cadmium chloride, 0.1M sodium acetate, pH 4.6, Microbatch crystallization under oil, temperature 291K