3R8Y

Structure of the Bacillus anthracis tetrahydropicolinate succinyltransferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	110
Detector technology	CCD
Collection date	2011-02-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 1
Unit cell lengths	52.421, 52.219, 134.550
Unit cell angles	97.41, 93.19, 115.71

Refinement procedure

Resolution	29.406 - 1.700
R-factor	0.188
Rwork	0.186
R-free	0.22090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cj8
RMSD bond length	0.009
RMSD bond angle	1.120
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MrBUMP/MolRep
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.099	0.066	0.624
Number of reflections	142717
<I/σ(I)>	13.6	19.2	2.3
Completeness [%]	99.3	98.6	98.8
Redundancy	5.7	6	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	20% PEG 3350, 200mM Calcium Chloride, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K