1VLC

Crystal structure of 3-isopropylmalate dehydrogenase (TM0556) from Thermotoga maritima at 1.90 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-06-27
Detector	ADSC QUANTUM 315
Spacegroup name	P 3 2 1
Unit cell lengths	118.780, 118.780, 56.699
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.010 - 1.900
R-factor	0.18934
Rwork	0.188
R-free	0.21822
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.673
Data reduction software	MOSFLM
Data scaling software	SCALA (4.2))
Phasing software	autoSHARP
Refinement software	REFMAC (5.2.0003)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.010	1.950
High resolution limit [Å]	1.900	1.900
Rmerge	0.110	0.684
Number of reflections	36394
<I/σ(I)>	13.6	1.9
Completeness [%]	99.5	97.2
Redundancy	5.6	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	9	277	25.0% PEG-4000, 0.2M Li2SO4, 0.1M TRIS pH 9.0 , VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	9	277	25.0% PEG-4000, 0.2M Li2SO4, 0.1M TRIS pH 9.0 , VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	9	277	25.0% PEG-4000, 0.2M Li2SO4, 0.1M TRIS pH 9.0 , VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K