5HW2

Crystal Structure of Adenylosuccinate Lyase from Francisella tularensis Complexed with fumaric acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792060
Spacegroup name	P 43
Unit cell lengths	88.680, 88.680, 255.665
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.432 - 2.054
R-factor	0.1919
Rwork	0.188
R-free	0.24520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4eei
RMSD bond length	0.008
RMSD bond angle	0.498
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.090
High resolution limit [Å]	2.050	5.560	2.050
Rmerge	0.100	0.041	0.617
Rmeas	0.110	0.044	0.679
Rpim	0.043	0.016	0.276
Total number of observations	683828
Number of reflections	120165
<I/σ(I)>	8.5
Completeness [%]	98.5	99.5	98.6
Redundancy	5.7	7.1	5.5
CC(1/2)		0.998	0.815

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	289	1.5 M Sodium/potassium phosphate