4E3W

Crystal Structure Francisella tularensis histidine acid phosphatase cryoprotected with proline

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	2011-12-08
Detector	NOIR-1
Wavelength(s)	1.0000
Spacegroup name	P 41
Unit cell lengths	62.031, 62.031, 210.411
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.863 - 1.750
R-factor	0.1828
Rwork	0.182
R-free	0.20250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3it2
RMSD bond length	0.006
RMSD bond angle	1.007
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.863	43.863	1.840
High resolution limit [Å]	1.750	5.530	1.750
Rmerge		0.020	0.130
Total number of observations		19066	31046
Number of reflections	78960
<I/σ(I)>	25.8	25.3	6
Completeness [%]	99.1	99.8	95.3
Redundancy	4.3	7.4	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	2.0M ammonium sulfate, 0.1M Bis-Tris, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K