3RMJ

Crystal structure of truncated alpha-Isopropylmalate Synthase from Neisseria meningitidis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95460
Spacegroup name	P 21 21 21
Unit cell lengths	46.296, 103.581, 129.937
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.810 - 1.950
R-factor	0.15994
Rwork	0.158
R-free	0.19052
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sr9
RMSD bond length	0.017
RMSD bond angle	1.445
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	BALBES
Refinement software	REFMAC (5.6.0111)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.810	1.950
High resolution limit [Å]	1.800	1.900
Rmerge		0.012
Number of reflections	56515
<I/σ(I)>		1.1
Completeness [%]	97.0	96.3
Redundancy		4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2M Mg acetate, 20% MPEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 18K, temperature 291K