4F67

Three dimensional structure of the double mutant of UPF0176 protein lpg2838 from Legionella pneumophila at the resolution 1.8A, Northeast Structural Genomics Consortium (NESG) Target LgR82

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	2012-04-18
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97913
Spacegroup name	P 21 21 21
Unit cell lengths	40.394, 77.005, 81.295
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.647 - 1.790
R-factor	0.17
Rwork	0.168
R-free	0.20100
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.212
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AutoSol
Refinement software	PHENIX (dev_988)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.790
Rmerge	0.074
Number of reflections	44966
<I/σ(I)>	37.7
Completeness [%]	98.6
Redundancy	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	microbatch under oil	6	293	Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5) . Reservoir solution:1.9M Na-malonate, 0.1M MgCl2, microbatch under oil, temperature 293K