4RV1

Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium (NESG) Target OR497.

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	2014-06-09
Detector	MAR CCD 165 mm
Wavelength(s)	0.97907
Spacegroup name	P 32 2 1
Unit cell lengths	99.265, 99.265, 432.183
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.020 - 2.573
R-factor	0.203
Rwork	0.201
R-free	0.23700
Structure solution method	MIR
Starting model (for MR)	4hxt
RMSD bond length	0.006
RMSD bond angle	1.073
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	BALBES
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.660
High resolution limit [Å]	2.570	2.570
Rmerge	0.148	0.818
Number of reflections	148422
<I/σ(I)>	15.2	2.01
Completeness [%]	98.2	100
Redundancy	4.5	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	microbatch under paraffin oil	7.5	291	Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5) . Reservoir solution: 40% PEG 400, 0.1M calcium acetate, 0.1M sodium acetate, 3% ethylene glycol , microbatch under paraffin oil, temperature 291K