3EWB

Crystal structure of N-terminal domain of putative 2-isopropylmalate synthase from Listeria monocytogenes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-07-24
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 31 2 1
Unit cell lengths	72.063, 72.063, 106.622
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.100
R-factor	0.196
Rwork	0.194
R-free	0.24500
RMSD bond length	0.013
RMSD bond angle	1.411
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.119	0.730
Number of reflections	19289
<I/σ(I)>	22.23	3.4
Completeness [%]	100.0	98.4
Redundancy	5.5	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	30% PEG MME 2K, 0.1M Potassium Thiocyanate, Vapor diffusion, Sitting drop, temperature 298K