3DB9

Crystal structure of UPF0317 protein Atu3911 from Agrobacterium tumefaciens. NorthEast Strcutural Genomics target AtR186

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-05-02
Detector	ADSC QUANTUM 210
Wavelength(s)	0.979
Spacegroup name	P 62 2 2
Unit cell lengths	101.374, 101.374, 84.325
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.940 - 2.800
R-factor	0.229
Rwork	0.229
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2PIF.pdb
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.070	0.333
Number of reflections	11899
<I/σ(I)>	17.9	16
Completeness [%]	99.3	99.6
Redundancy	21.8	21

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	200 mM NH4SO4, 20% PEG 4000, 50 mM MOPS pH 7. VAPOR DIFFUSION, SITTING DROP, temperature 293K