5HG0

Crystal Structure of Pantoate-beta-alanine Ligase from Francisella tularensis complex with SAM

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	2010-04-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97929
Spacegroup name	P 43
Unit cell lengths	47.366, 47.366, 257.683
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.366 - 2.400
R-factor	0.1865
Rwork	0.184
R-free	0.23480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3n8h
RMSD bond length	0.003
RMSD bond angle	0.553
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.086	0.050	0.862
Rmeas	0.095	0.055	0.983
Rpim	0.040	0.022	0.465
Total number of observations	113566
Number of reflections	22563
<I/σ(I)>	8.9
Completeness [%]	99.3	99.1	98.3
Redundancy	5	5.9	3.9
CC(1/2)		0.991	0.581

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	297	0.2 M Sodium Tartrate, 20 % PEG3350