4WOJ

Aspartate Semialdehyde Dehydrogenase from Francisella tularensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-28
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.97935
Spacegroup name	P 1
Unit cell lengths	46.587, 60.573, 67.684
Unit cell angles	115.43, 100.98, 91.74

Refinement procedure

Resolution	37.220 - 2.450
R-factor	0.1863
Rwork	0.183
R-free	0.23760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t4b
RMSD bond length	0.013
RMSD bond angle	1.526
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.490
High resolution limit [Å]	2.450	6.640	2.450
Rmerge	0.054	0.043	0.201
Rmeas	0.076	0.061	0.284
Rpim	0.054	0.043	0.201
Total number of observations	45447
Number of reflections	23498
<I/σ(I)>	13.7		3.3
Completeness [%]	97.4	90.7	94.3
Redundancy	1.9	1.9	1.8
CC(1/2)		0.991	0.905

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.2 M Ammonium Sulfate, 0.1 M Tris pH 8.5, 25% PEG3350