3IT2

Crystal structure of ligand-free Francisella tularensis histidine acid phosphatase

Replaces:  2GLB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2005-06-12
Detector	NOIR-1
Wavelength(s)	1.12711
Spacegroup name	P 41
Unit cell lengths	61.976, 61.976, 211.716
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.249 - 1.838
R-factor	0.204
Rwork	0.203
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3it1
RMSD bond length	0.006
RMSD bond angle	0.886
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.249	1.920
High resolution limit [Å]	1.838	1.838
Rmerge	0.077	0.290
Total number of observations		18710
Number of reflections	67426
<I/σ(I)>	10	2.2
Completeness [%]	99.1	99.7
Redundancy	3.43	2.76

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	0.05 - 0.2 M Bis-Tris buffer pH 5.0, 1.6 - 2.0 M ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 293K