8EWH

Salmonella typhimurium GTPase BIPA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2007-08-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	89.414, 83.702, 95.408
Unit cell angles	90.00, 105.77, 90.00

Refinement procedure

Resolution	29.780 - 2.330
R-factor	0.2337
Rwork	0.231
R-free	0.28300
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.442
Data reduction software	DENZO
Data scaling software	SCALEPACK (v1.97.2)
Phasing software	SOLVE
Refinement software	REFMAC (v5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.800	2.410
High resolution limit [Å]	2.330	2.330
Rmerge	0.094	0.199
Rmeas	0.112	0.264
Rpim	0.059	0.167
Number of reflections	52682	2609
<I/σ(I)>	10.29	3.35
Completeness [%]	90.8	54.1
Redundancy	4	3.3
CC(1/2)	0.983	0.868

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	16-18% PEG 3350, 100 MM NA/K TARTRATE, 20 MM TRIS, PH 7.5. CRYO SOLVENT 20% GLYCEROL