4RZP

Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium (NESG) Target OR366.

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	2014-04-28
Detector	MAR CCD 165 mm
Wavelength(s)	0.97947
Spacegroup name	P 21 21 21
Unit cell lengths	62.718, 81.256, 97.222
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.716 - 2.804
R-factor	0.197
Rwork	0.193
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hxt
RMSD bond length	0.009
RMSD bond angle	1.255
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	Rosetta
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.181	0.938
Number of reflections	23566
<I/σ(I)>	13.9	1.8
Completeness [%]	100.0	100
Redundancy	6.3	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	microbatch under paraffin oil	5.8	277	Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5) . Reservoir solution: 27% PEG 3350, 0.1M MES pH 5.8, 5% w/v 1-butyl-2,3-dimethylimidazolium tetrafluoroborate, microbatch under paraffin oil, temperature 277K