3IT3

Crystal Structure Francisella tularensis histidine acid phosphatase D261A mutant complexed with substrate 3'-AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-10
Detector	Q315
Wavelength(s)	0.97918
Spacegroup name	P 41
Unit cell lengths	61.646, 61.646, 211.439
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.630 - 1.500
R-factor	0.172
Rwork	0.172
R-free	0.18700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3it1
RMSD bond length	0.005
RMSD bond angle	0.983
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.074	0.539
Number of reflections	125320
<I/σ(I)>	7.7
Completeness [%]	99.9	100
Redundancy	7.5	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	0.05 - 0.2 M Bis-Tris buffer pH 5.0 - 6.5, 1.6 - 2.2 M ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 293K