3V45

Crystal Structure of de novo designed serine hydrolase OSH55, Northeast Structural Genomics Consortium Target OR130

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-07-28
Detector	RIGAKU RAXIS
Wavelength(s)	1.5418
Spacegroup name	P 2 2 21
Unit cell lengths	30.031, 38.115, 128.114
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.600
Rwork	0.208
R-free	0.28500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dx6
RMSD bond length	0.006
RMSD bond angle	1.298
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	BALBES
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.600
Number of reflections	4516
<I/σ(I)>	9.3
Completeness [%]	91.9
Redundancy	9.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5), Reservoir solution:succinic acid 1M, Hepes 0.1M, PEG 2k 1%, temperature 277K, VAPOR DIFFUSION, SITTING DROP