5CDH

Structure of Legionella pneumophila Histidine Acid Phosphatase complexed with L(+)-tartrate

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	2010-08-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97903
Spacegroup name	C 1 2 1
Unit cell lengths	217.889, 134.274, 135.780
Unit cell angles	90.00, 127.46, 90.00

Refinement procedure

Resolution	42.882 - 2.001
R-factor	0.1884
Rwork	0.186
R-free	0.22390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3it1
RMSD bond length	0.007
RMSD bond angle	0.971
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.079	0.040	0.451
Total number of observations	745974
Number of reflections	207120
<I/σ(I)>	10.2
Completeness [%]	99.6	99.9	98.6
Redundancy	3.6	3.6	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% (w/v) PEG 3350 and 0.2 M sodium acetate